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Usage : dbname:identifier

KEGG   DRUG: Haloperidol
Entry
D00136                      Drug                                   
Name
Haloperidol (JP18/USP/INN);
Haldol (TN)
Product
  Generic
HALOPERIDOL (A-S Medication Solutions), HALOPERIDOL (Advagen Pharma), HALOPERIDOL (American Health Packaging), HALOPERIDOL (American Health Packaging), HALOPERIDOL (American Health Packaging), HALOPERIDOL (Amici Pharmaceuticals), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Bryant Ranch Prepack), HALOPERIDOL (Burel Pharmaceuticals), HALOPERIDOL (Burel Pharmaceuticals), HALOPERIDOL (Burel Pharmaceuticals), HALOPERIDOL (Cardinal Health 107), HALOPERIDOL (Cardinal Health 107), HALOPERIDOL (Innogenix), HALOPERIDOL (Major Pharmaceuticals), HALOPERIDOL (Major Pharmaceuticals), HALOPERIDOL (Major Pharmaceuticals), HALOPERIDOL (Marlex Pharmaceuticals), HALOPERIDOL (Method Pharmaceuticals), HALOPERIDOL (Mylan Institutional), HALOPERIDOL (Mylan Pharmaceuticals), HALOPERIDOL (NCS HealthCare of KY), HALOPERIDOL (Novadoz Pharmaceuticals LLC), HALOPERIDOL (Proficient Rx LP), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (REMEDYREPACK), HALOPERIDOL (Redpharm Drug), HALOPERIDOL (Redpharm Drug), HALOPERIDOL (Upsher-Smith Laboratories), HALOPERIDOL (Zydus Lifesciences Limited), HALOPERIDOL (Zydus Pharmaceuticals USA)
Formula
C21H23ClFNO2
Exact mass
375.1401
Mol weight
375.8642
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C01814
Therapeutic category: 1179
ATC code: N05AD01
Chemical structure group: DG00885
Product (DG00885): D00136<JP/US> D01898<JP/US> D08035<US>
Efficacy
Antipsychotic, Antidyskinetic, Neuroleptic, Dopamine D2 receptor antagonist
  Disease
Tourette’s disorder [DS:H00862]
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Structure map
map07028  Antipsychotics
map07031  Antipsychotics - butyrophenones
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD01 Haloperidol
      D00136  Haloperidol (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Haloperidol
    D00136  Haloperidol (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00136  Haloperidol (JP18/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00885  Haloperidol
     D00136  Haloperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00885  Haloperidol
     D00136  Haloperidol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00885  Haloperidol
    D00136  Haloperidol
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00885  Haloperidol
     D00136  Haloperidol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00136  Haloperidol (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00136  Haloperidol
  D00136  Haloperidol tablets
  D00136  Haloperidol fine granules
  D00136  Haloperidol injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00136
Prodrugs [br08324.html]
 D00136
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00885  Haloperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00885  Haloperidol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00885  Haloperidol
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00885  Haloperidol
Prodrugs [br08324.html]
 DG00885
Other DBs
CAS: 52-86-8
PubChem: 7847204
ChEBI: 5613
PDB-CCD: GMJ[PDBj]
LigandBox: D00136
NIKKAJI: J1.365J J31.369F
LinkDB
KCF data

ATOM        26
            1   C1b C    19.7303  -17.5616
            2   C1b C    20.9898  -16.8619
            3   C1b C    22.2494  -17.5616
            4   N1y N    23.4389  -16.8619
            5   C1x C    23.4389  -15.4624
            6   C1x C    24.6285  -17.5616
            7   C1x C    24.6285  -14.7626
            8   C1x C    25.8181  -16.8619
            9   C1z C    25.8181  -15.4624
            10  C8y C    27.0076  -14.7626
            11  C8x C    27.0076  -13.4331
            12  C8x C    28.2672  -15.4624
            13  C8x C    28.2672  -12.7334
            14  C8x C    29.4567  -14.7626
            15  C8y C    29.4567  -13.4331
            16  X   Cl   30.6463  -12.7334
            17  C5a C    18.5407  -16.8619
            18  C8y C    17.3512  -17.5616
            19  O5a O    18.5407  -15.3924
            20  C8x C    17.3512  -18.9611
            21  C8x C    16.0916  -19.6608
            22  C8y C    14.8321  -18.9611
            23  C8x C    14.8321  -17.5616
            24  C8x C    16.0916  -16.8619
            25  X   F    13.6425  -19.6608
            26  O1a O    27.0305  -16.1624
BOND        28
            1     9  10 1
            2    10  11 1
            3    10  12 2
            4    11  13 2
            5    12  14 1
            6    13  15 1
            7    15  16 1
            8     8   9 1
            9    14  15 2
            10    1  17 1
            11    1   2 1
            12   17  18 1
            13    2   3 1
            14   17  19 2
            15    3   4 1
            16    4   5 1
            17    4   6 1
            18    5   7 1
            19    6   8 1
            20   18  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  18 2
            26    7   9 1
            27   22  25 1
            28    9  26 1

» Japanese version   » Back

KEGG   DRUG: Chlorpromazine
Entry
D00270                      Drug                                   
Name
Chlorpromazine (USP/INN);
Thorazine (TN)
Formula
C17H19ClN2S
Exact mass
318.0957
Mol weight
318.8642
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG01491  Muscarinic cholinergic receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C06906
ATC code: N05AA01
Chemical structure group: DG00867
Product (DG00867): D00789<JP/US> D04034<JP>
Efficacy
Antipsychotic, Anti-emetic
Comment
Phenothiazine derivative
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
HRH1 [HSA:3269] [KO:K04149]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
DRD2 [HSA:1813] [KO:K04145]
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07028  Antipsychotics
map07029  Antipsychotics - phenothiazines
map07048  Antimigraines
map07212  Histamine H1 receptor antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AA Phenothiazines with aliphatic side-chain
     N05AA01 Chlorpromazine
      D00270  Chlorpromazine (USP/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG00867  Chlorpromazine
      D00270  Chlorpromazine
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00867  Chlorpromazine
     D00270  Chlorpromazine
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00867  Chlorpromazine
    D00270  Chlorpromazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00867  Chlorpromazine
     D00270  Chlorpromazine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00867  Chlorpromazine
     D00270  Chlorpromazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00867  Chlorpromazine
    D00270  Chlorpromazine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00867  Chlorpromazine
    D00270  Chlorpromazine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00270  Chlorpromazine (USP/INN)
   Adrenaline
    ADRA2
     D00270  Chlorpromazine (USP/INN)
   Dopamine
    DRD2
     D00270  Chlorpromazine (USP/INN)
   Histamine
    HRH1
     D00270  Chlorpromazine (USP/INN)
   Serotonin
    HTR2
     D00270  Chlorpromazine (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00270
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG00867  Chlorpromazine
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00867  Chlorpromazine
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00867  Chlorpromazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00867  Chlorpromazine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00867  Chlorpromazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00867  Chlorpromazine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00867  Chlorpromazine
Other DBs
CAS: 50-53-3
PubChem: 7847336
ChEBI: 3647
PDB-CCD: Z80[PDBj]
LigandBox: D00270
NIKKAJI: J2.794D
LinkDB
KCF data

ATOM        21
            1   C8x C     3.4300  -16.7300
            2   C8x C     3.4300  -18.1300
            3   C8x C     4.6424  -18.8300
            4   C8y C     5.8549  -18.1300
            5   C8y C     5.8549  -16.7300
            6   C8x C     4.6424  -16.0300
            7   S2x S     7.0673  -18.8300
            8   C8y C     8.2797  -18.1300
            9   C8y C     8.2797  -16.7300
            10  N4y N     7.0673  -16.0300
            11  C8x C     9.4922  -18.8300
            12  C8x C    10.7046  -18.1300
            13  C8y C    10.7046  -16.7300
            14  C8x C     9.4922  -16.0300
            15  C1b C     7.0673  -14.6300
            16  C1b C     8.2818  -13.9288
            17  C1b C     9.4783  -14.6198
            18  N1c N    10.6651  -13.9346
            19  C1a C    11.8566  -14.6228
            20  C1a C    10.6653  -12.5302
            21  X   Cl   11.9211  -16.0277
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1

» Japanese version   » Back

KEGG   DRUG: Clozapine
Entry
D00283                      Drug                                   
Name
Clozapine (JAN/USP/INN);
Clozaril (TN)
Product
CLOZARIL (HLS Therapeutics (USA)), VERSACLOZ (TruPharma LLC)
  Generic
CLOZAPINE (Accord Healthcare), CLOZAPINE (American Health Packaging), CLOZAPINE (Aurobindo Pharma Limited), CLOZAPINE (Bryant Ranch Prepack), CLOZAPINE (Bryant Ranch Prepack), CLOZAPINE (Bryant Ranch Prepack), CLOZAPINE (Bryant Ranch Prepack), CLOZAPINE (Cardinal Health 107), CLOZAPINE (Golden State Medical Supply), CLOZAPINE (Major Pharmaceuticals), CLOZAPINE (Mayne Pharma Commercial LLC), CLOZAPINE (Mylan Institutional), CLOZAPINE (Mylan Institutional), CLOZAPINE (Mylan Pharmaceuticals), CLOZAPINE (Mylan Pharmaceuticals), CLOZAPINE (REMEDYREPACK), CLOZAPINE (REMEDYREPACK), CLOZAPINE (Sun Pharmaceutical Industries), CLOZAPINE (Teva Pharmaceuticals USA), CLOZAPINE (Teva Pharmaceuticals USA)
Formula
C18H19ClN4
Exact mass
326.1298
Mol weight
326.8233
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01476  Dopamine D4-receptor antagonist
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C06924
Therapeutic category: 1179
ATC code: N05AH02
Product: D00283<JP/US>
Efficacy
Antipsychotic
  Disease
Treatment-resistant schizophrenia [DS:H01649]
Comment
Multi-acting receptor targeted antipsychotic (MARTA)
Tricyclic compound
Target
HTR2A [HSA:3356] [KO:K04157]
HTR2C [HSA:3358] [KO:K04157]
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
DRD4 [HSA:1815] [KO:K04147]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP3A4 [HSA:1576]
Interaction
Structure map
map07117  Benzodiazepine family
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines, thiazepines and oxepines
     N05AH02 Clozapine
      D00283  Clozapine (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  Treatment-Resistant
   Clozapine
    D00283  Clozapine (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00283  Clozapine (JAN/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01476  Dopamine D4-receptor antagonist
    D00283  Clozapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    D00283  Clozapine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D00283  Clozapine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00283  Clozapine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D00283  Clozapine (JAN/USP/INN) <JP/US>
   Dopamine
    DRD4
     D00283  Clozapine (JAN/USP/INN) <JP/US>
   Serotonin
    HTR2A
     D00283  Clozapine (JAN/USP/INN) <JP/US>
    HTR2C
     D00283  Clozapine (JAN/USP/INN) <JP/US>
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D00283  Clozapine (JAN/USP/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00283
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00283
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00283
Other DBs
CAS: 5786-21-0
PubChem: 7847349
ChEBI: 3766
PDB-CCD: VBU[PDBj]
LigandBox: D00283
NIKKAJI: J8.061F
LinkDB
KCF data

ATOM        23
            1   C2y C    17.6334  -14.2894
            2   C8y C    16.7913  -13.1798
            3   C8y C    17.1265  -11.8230
            4   N1x N    18.3875  -11.2449
            5   N2x N    19.0392  -14.3146
            6   C8y C    19.6411  -11.8672
            7   C8y C    19.9276  -13.2359
            8   C8x C    16.1194  -10.8546
            9   C8x C    14.7774  -11.2427
            10  C8x C    14.4422  -12.5995
            11  C8x C    15.4493  -13.5676
            12  C8x C    21.2588  -13.6730
            13  C8y C    22.3030  -12.7386
            14  C8x C    22.0166  -11.3699
            15  C8x C    20.6852  -10.9328
            16  N1y N    16.9989  -15.5391
            17  C1x C    15.5973  -15.5391
            18  C1x C    14.8965  -16.7529
            19  N1y N    15.5973  -17.9669
            20  C1x C    16.9989  -17.9669
            21  C1x C    17.6997  -16.7529
            22  X   Cl   23.6578  -13.1837
            23  C1a C    14.8903  -19.1909
BOND        26
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    1  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   13  22 1
            26   19  23 1

» Japanese version   » Back

KEGG   DRUG: Droperidol
Entry
D00308                      Drug                                   
Name
Droperidol (JP18/USP/INN);
Droleptan (TN);
Inapsine (TN)
Product
  Generic
DROPERIDOL (American Regent), DROPERIDOL (Hikma Pharmaceuticals USA)
Formula
C22H22FN3O2
Exact mass
379.1696
Mol weight
379.4274
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Remark
Therapeutic category: 1119
ATC code: N05AD08
Product: D00308<JP/US>
Efficacy
Anesthetic (intravenous), Anti-emetic, Antipsychotic
Comment
Butyrophenone derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD08 Droperidol
      D00308  Droperidol (JP18/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   111  General anesthetics
    1119  Others
     D00308  Droperidol (JP18/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    D00308  Droperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    D00308  Droperidol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00308  Droperidol (JP18/USP/INN) <JP/US>
   Dopamine
    DRD2
     D00308  Droperidol (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00308  Droperidol
Other DBs
CAS: 548-73-2
PubChem: 7847374
ChEBI: 4717
PDB-CCD: USS[PDBj]
LigandBox: D00308
NIKKAJI: J26.622A
LinkDB
KCF data

ATOM        28
            1   N4y N    34.7898  -14.1599
            2   C8y C    36.1337  -14.5455
            3   C2y C    33.5782  -14.8648
            4   C8y C    34.7636  -12.7484
            5   C8y C    36.9382  -13.4028
            6   C8x C    36.7369  -15.8127
            7   C1x C    33.5782  -16.2626
            8   C2x C    32.3726  -14.1599
            9   N4x N    36.0849  -12.2909
            10  O5x O    33.6158  -11.9504
            11  C8x C    38.3329  -13.5172
            12  C8x C    38.1331  -15.9387
            13  C1x C    32.3726  -16.9615
            14  C1x C    31.1553  -14.8648
            15  C8x C    38.9302  -14.7851
            16  N1y N    31.1612  -16.2626
            17  C1b C    29.9498  -16.9615
            18  C1b C    28.7325  -16.2626
            19  C1b C    27.5210  -16.9615
            20  C5a C    26.3037  -16.2626
            21  C8y C    25.0923  -16.9615
            22  O5a O    26.3037  -14.8648
            23  C8x C    23.8807  -16.2626
            24  C8x C    25.0923  -18.3593
            25  C8x C    22.6693  -16.9615
            26  C8x C    23.8866  -19.0642
            27  C8y C    22.6752  -18.3652
            28  X   F    21.4636  -19.0699
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   11  15 2
            15   13  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 2
            22   21  23 2
            23   21  24 1
            24   23  25 1
            25   24  26 2
            26   25  27 2
            27   27  28 1
            28    5   9 1
            29   12  15 1
            30   14  16 1
            31   26  27 1

» Japanese version   » Back

KEGG   DRUG: Thioridazine
Entry
D00373                      Drug                                   
Name
Thioridazine (USP/INN);
Mellaril-S (TN)
Formula
C21H26N2S2
Exact mass
370.1537
Mol weight
370.5745
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AC02
Chemical structure group: DG00882
Product (DG00882): D00798<US>
Efficacy
Antipsychotic, Sedative-hypnotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AC Phenothiazines with piperidine structure
     N05AC02 Thioridazine
      D00373  Thioridazine (USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00882  Thioridazine
     D00373  Thioridazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00882  Thioridazine
     D00373  Thioridazine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00373  Thioridazine (USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00882  Thioridazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00882  Thioridazine
Other DBs
CAS: 50-52-2
PubChem: 7847439
ChEBI: 9566
LigandBox: D00373
NIKKAJI: J4.104A
LinkDB
KCF data

ATOM        25
            1   N1y N    23.3391  -17.9395
            2   C8y C    22.1103  -18.6357
            3   C8y C    24.5503  -18.6591
            4   C1b C    23.3391  -16.5293
            5   C8y C    22.1103  -20.0340
            6   C8x C    20.8934  -17.9395
            7   C8y C    24.5503  -20.0165
            8   C8x C    25.7612  -17.9570
            9   C1b C    24.5503  -15.8332
            10  S2x S    23.3391  -20.7304
            11  C8x C    20.8934  -20.7304
            12  C8x C    19.6880  -18.6591
            13  C8x C    25.7612  -20.7127
            14  C8y C    26.9900  -18.6708
            15  C1y C    24.5503  -14.4172
            16  C8x C    19.6880  -20.0165
            17  C8x C    26.9900  -19.9931
            18  N1y N    25.7789  -13.6976
            19  C1x C    23.3391  -13.7151
            20  C1x C    25.7612  -12.2934
            21  C1a C    26.9958  -14.3821
            22  C1x C    23.3391  -12.3168
            23  C1x C    24.5503  -11.6147
            24  S2a S    28.2171  -17.9641
            25  C1a C    29.4345  -18.6686
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    7  10 1
            24   12  16 1
            25   14  17 1
            26   22  23 1
            27   14  24 1
            28   24  25 1

» Japanese version   » Back

KEGG   DRUG: Thiothixene
Entry
D00374                      Drug                                   
Name
Thiothixene (USP);
Tiotixene (JAN);
Navane (TN)
Product
  Generic
THIOTHIXENE (Amneal Pharmaceuticals NY LLC), THIOTHIXENE (Golden State Medical Supply), THIOTHIXENE (Novitium Pharma LLC)
Formula
C23H29N3O2S2
Exact mass
443.1701
Mol weight
443.6253
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
Remark
ATC code: N05AF04
Chemical structure group: DG00895
Product (DG00895): D00374<US>
Efficacy
Antipsychotic, Dopamine receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Thioxanthene derivative
Target
DRD2 [HSA:1813] [KO:K04145]
DRD3 [HSA:1814] [KO:K04146]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07028  Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AF Thioxanthene derivatives
     N05AF04 Tiotixene
      D00374  Thiothixene (USP) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Thiothixene
    D00374  Thiothixene (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00895  Tiotixene
    D00374  Thiothixene
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00374  Thiothixene (USP) <US>
    DRD3
     D00374  Thiothixene (USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00895  Tiotixene
Other DBs
CAS: 5591-45-7
PubChem: 7847440
ChEBI: 9571
LigandBox: D00374
NIKKAJI: J921K
LinkDB
KCF data

ATOM        30
            1   C8x C    15.4000  -17.1500
            2   C8x C    15.4000  -18.5500
            3   C8x C    16.6124  -19.2500
            4   C8y C    17.8249  -18.5500
            5   C8y C    17.8249  -17.1500
            6   C8x C    16.6124  -16.4500
            7   S2x S    19.0373  -19.2500
            8   C8y C    20.2497  -18.5500
            9   C8y C    20.2497  -17.1500
            10  C8y C    19.0373  -16.4500
            11  C8x C    21.4622  -19.2500
            12  C8x C    22.6746  -18.5500
            13  C8y C    22.6746  -17.1500
            14  C8x C    21.4622  -16.4500
            15  C2b C    19.0373  -15.0500
            16  C1b C    20.2518  -14.3488
            17  C1b C    20.2518  -12.9488
            18  N1y N    21.4473  -12.2584
            19  C1x C    22.6356  -12.9445
            20  C1x C    23.8480  -12.2445
            21  N1y N    23.8480  -10.8445
            22  C1x C    22.6597  -10.1584
            23  C1x C    21.4473  -10.8584
            24  C1a C    25.0744  -10.1362
            25  S4a S    23.8911  -16.4477
            26  N1c N    25.0886  -17.1392
            27  O3c O    24.8810  -15.4577
            28  O3c O    22.9011  -15.4577
            29  C1a C    26.2749  -16.4543
            30  C1a C    25.0887  -18.5497
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   13  25 1
            29   25  26 1
            30   25  27 2
            31   25  28 2
            32   26  29 1
            33   26  30 1

» Japanese version   » Back

KEGG   DRUG: Triflupromazine
Entry
D00390                      Drug                                   
Name
Triflupromazine (USP/INN);
Vesprin (TN)
Formula
C18H19F3N2S
Exact mass
352.1221
Mol weight
352.4171
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AA05
Chemical structure group: DG00871
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AA Phenothiazines with aliphatic side-chain
     N05AA05 Triflupromazine
      D00390  Triflupromazine (USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00871  Triflupromazine
     D00390  Triflupromazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00871  Triflupromazine
     D00390  Triflupromazine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00390  Triflupromazine (USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00871  Triflupromazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00871  Triflupromazine
Other DBs
CAS: 146-54-3
PubChem: 7847456
ChEBI: 9711
LigandBox: D00390
NIKKAJI: J2.957B
LinkDB
KCF data

ATOM        24
            1   C8y C    22.1709  -18.3123
            2   N1y N    23.3692  -17.6226
            3   C8y C    22.1709  -19.7036
            4   C8x C    20.9432  -17.6226
            5   C8y C    24.5967  -18.3357
            6   C1b C    23.3692  -16.2196
            7   S2x S    23.3692  -20.3993
            8   C8x C    20.9432  -20.3993
            9   C8x C    19.7216  -18.3357
            10  C8y C    24.5967  -19.6802
            11  C8x C    25.8010  -17.6459
            12  C1b C    24.5967  -15.5240
            13  C8x C    19.7216  -19.6802
            14  C8x C    25.8010  -20.3876
            15  C8y C    27.0402  -18.3534
            16  C1b C    24.5967  -14.1211
            17  C8x C    27.0402  -19.6745
            18  N1c N    25.8010  -13.4489
            19  C1a C    25.8185  -12.0283
            20  C1a C    27.0402  -14.1328
            21  C1d C    28.2414  -17.6558
            22  X   F    29.4000  -16.9400
            23  X   F    28.9100  -18.8300
            24  X   F    27.5100  -16.4500
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 2
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   14  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20    7  10 1
            21    9  13 1
            22   15  17 1
            23   15  21 1
            24   21  22 1
            25   21  23 1
            26   21  24 1

» Japanese version   » Back

KEGG   DRUG: Methotrimeprazine
Entry
D00403                      Drug                                   
Name
Methotrimeprazine (USP);
Levomepromazine (USAN/INN);
Levoprome (TN)
Formula
C19H24N2OS
Exact mass
328.1609
Mol weight
328.4717
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
Same as: C07192
ATC code: N05AA02
Chemical structure group: DG00868
Product (DG00868): D01520<JP> D02248<JP>
Efficacy
Analgesic
Comment
Phenothiazine derivative
Central nervous system depressant
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AA Phenothiazines with aliphatic side-chain
     N05AA02 Levomepromazine
      D00403  Methotrimeprazine (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00868  Levomepromazine
     D00403  Methotrimeprazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00868  Levomepromazine
     D00403  Methotrimeprazine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00403  Methotrimeprazine (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00868  Levomepromazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00868  Levomepromazine
Other DBs
CAS: 60-99-1
PubChem: 7847469
ChEBI: 6838
LigandBox: D00403
NIKKAJI: J76.892H
LinkDB
KCF data

ATOM        23
            1   C8x C    20.8420  -21.1249
            2   C8x C    20.8420  -22.5291
            3   C8x C    22.1058  -23.2312
            4   C8x C    22.1058  -20.4228
            5   C8y C    23.2993  -21.1249
            6   C8y C    23.2993  -22.5291
            7   S2x S    24.4929  -23.2312
            8   N1y N    24.4929  -20.4228
            9   C8y C    25.6865  -21.1249
            10  C8y C    25.6865  -22.5291
            11  C8x C    26.8099  -23.2312
            12  C8x C    28.0737  -22.5291
            13  C8y C    28.0737  -21.1249
            14  C8x C    26.8801  -20.4228
            15  C1b C    24.4929  -19.0186
            16  C1c C    25.6865  -18.3165
            17  C1b C    25.6865  -16.9123
            18  C1a C    26.8801  -19.0186
            19  N1c N    26.8801  -16.2102
            20  C1a C    26.8801  -14.8060
            21  C1a C    28.1439  -16.9123
            22  O2a O    29.3374  -20.4228
            23  C1a C    30.5310  -21.1249
BOND        25
            1    14   9 1
            2     2   3 2
            3     5   6 2
            4     6   7 1
            5     8  15 1
            6     7  10 1
            7    15  16 1
            8     9   8 1
            9    16  17 1
            10    8   5 1
            11   16  18 1 #Up
            12    3   6 1
            13   17  19 1
            14    5   4 1
            15   19  20 1
            16    4   1 2
            17   19  21 1
            18    1   2 1
            19    9  10 2
            20   10  11 1
            21   11  12 2
            22   12  13 1
            23   13  14 2
            24   13  22 1
            25   22  23 1

» Japanese version   » Back

KEGG   DRUG: Risperidone
Entry
D00426                      Drug                                   
Name
Risperidone (JP18/USP/INN);
Risperdal (TN)
Product
PERSERIS (Indivior), RISPERDAL CONSTA (Janssen Pharmaceuticals), RISPERIDONE (Aphena Pharma Solutions - Tennessee), RISPERIDONE (Aphena Pharma Solutions - Tennessee), RISPERIDONE (Aphena Pharma Solutions - Tennessee), RISPERIDONE (Aphena Pharma Solutions - Tennessee), RISPERIDONE (Janssen Pharmaceutical), RISPERIDONE (Janssen Pharmaceuticals), RISPERIDONE (REMEDYREPACK), RYKINDO (Shandong Luye Pharmaceutical), UZEDY (Teva Pharmaceuticals USA)
  Generic
RISPERIDONE (A-S Medication Solutions), RISPERIDONE (A-S Medication Solutions), RISPERIDONE (Ajanta Pharma USA), RISPERIDONE (American Health Packaging), RISPERIDONE (Amneal Pharmaceuticals LLC), RISPERIDONE (Amneal Pharmaceuticals NY LLC), RISPERIDONE (Aphena Pharma Solutions - Tennessee), RISPERIDONE (Aphena Pharma Solutions - Tennessee), RISPERIDONE (Aphena Pharma Solutions - Tennessee), RISPERIDONE (Aurobindo Pharma Limited), RISPERIDONE (AvKARE), RISPERIDONE (AvKARE), RISPERIDONE (Bryant Ranch Prepack), RISPERIDONE (Bryant Ranch Prepack), RISPERIDONE (Bryant Ranch Prepack), RISPERIDONE (Bryant Ranch Prepack), RISPERIDONE (Bryant Ranch Prepack), RISPERIDONE (Bryant Ranch Prepack), RISPERIDONE (Bryant Ranch Prepack), RISPERIDONE (Cardinal Health 107), RISPERIDONE (Chartwell RX), RISPERIDONE (Chartwell RX), RISPERIDONE (Direct_Rx), RISPERIDONE (Hikma Pharmaceuticals USA), RISPERIDONE (Jubilant Cadista Pharmaceuticals), RISPERIDONE (Major Pharmaceuticals), RISPERIDONE (Major Pharmaceuticals), RISPERIDONE (NCS HealthCare of KY), RISPERIDONE (Natco Pharma USA LLC), RISPERIDONE (NuCare Pharmaceuticals), RISPERIDONE (PD-Rx Pharmaceuticals), RISPERIDONE (PD-Rx Pharmaceuticals), RISPERIDONE (Par Pharmaceutical), RISPERIDONE (Proficient Rx LP), RISPERIDONE (Proficient Rx LP), RISPERIDONE (Proficient Rx LP), RISPERIDONE (Proficient Rx LP), RISPERIDONE (Proficient Rx LP), RISPERIDONE (Quality Care Products), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (REMEDYREPACK), RISPERIDONE (RPK Pharmaceuticals), RISPERIDONE (RPK Pharmaceuticals), RISPERIDONE (Solco Healthcare US), RISPERIDONE (Sun Pharmaceutical Industries), RISPERIDONE (Teva Pharmaceuticals), RISPERIDONE (Torrent Pharmaceuticals Limited), RISPERIDONE (Tris Pharma), RISPERIDONE (Zydus Lifesciences Limited), RISPERIDONE (Zydus Lifesciences Limited), RISPERIDONE (Zydus Pharmaceuticals USA), RISPERIDONE (Zydus Pharmaceuticals USA)
Formula
C23H27FN4O2
Exact mass
410.2118
Mol weight
410.4845
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03005  Serotonin-dopamine antagonist (SDA)
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1179
ATC code: N05AX08
Product: D00426<JP/US>
Efficacy
Antipsychotic, Neuroleptic
  Disease
Schizophrenia [DS:H01649]
Bipolar mania [DS:H01653]
Comment
Serotonin-dopamine antagonists (SDA)
Active form of prodrug: Paliperidone [DR:D05339]
Target
DRD2 [HSA:1813] [KO:K04145]
HTR2A [HSA:3356] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Structure map
map07028  Antipsychotics
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AX Other antipsychotics
     N05AX08 Risperidone
      D00426  Risperidone (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Risperidone
    D00426  Risperidone (JP18/USP/INN)
 Bipolar Agents
  Bipolar Agents, Other
   Risperidone
    D00426  Risperidone (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00426  Risperidone (JP18/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    D00426  Risperidone
  DG03005  Serotonin-dopamine antagonist (SDA)
   D00426  Risperidone
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    D00426  Risperidone
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   D00426  Risperidone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00426  Risperidone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00426  Risperidone (JP18/USP/INN) <JP/US>
   Serotonin
    HTR2A
     D00426  Risperidone (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00426  Risperidone
  D00426  Risperidone tablets
  D00426  Risperidone fine granules
  D00426  Risperidone solution
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00426
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00426
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00426
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00426
Prodrugs [br08324.html]
 D00426
Other DBs
CAS: 106266-06-2
PubChem: 7847492
ChEBI: 8871
PDB-CCD: 8NU[PDBj]
LigandBox: D00426
NIKKAJI: J138.382E
LinkDB
KCF data

ATOM        30
            1   C1y C    22.2076  -18.2560
            2   C1x C    22.2076  -16.8437
            3   C1x C    23.4315  -18.9622
            4   C1x C    23.4315  -16.1376
            5   C1x C    24.6555  -18.2560
            6   N1y N    24.6555  -16.8437
            7   C1b C    25.8795  -16.1847
            8   C1b C    27.0564  -16.8437
            9   C8y C    28.2333  -16.1847
            10  C8y C    29.4572  -16.8437
            11  C8y C    28.2333  -14.7724
            12  N4y N    30.6813  -16.1847
            13  O5x O    29.4572  -18.2560
            14  N5x N    29.4572  -14.0663
            15  C1a C    27.0564  -14.0663
            16  C8y C    30.6813  -14.7253
            17  C1x C    31.9523  -16.8437
            18  C1x C    31.9523  -14.0663
            19  C1x C    33.1292  -16.1847
            20  C1x C    33.1292  -14.7724
            21  C8y C    20.9846  -18.9624
            22  N5x N    19.8537  -18.1619
            23  O2x O    18.7431  -18.9900
            24  C8y C    19.1873  -20.3023
            25  C8y C    20.5727  -20.2852
            26  C8x C    18.4886  -21.5043
            27  C8y C    19.1911  -22.7295
            28  C8x C    20.6034  -22.7337
            29  C8x C    21.3021  -21.5317
            30  X   F    18.4827  -23.9479
BOND        34
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11   10  12 1
            12   10  13 2
            13   11  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    5   6 1
            21   14  16 2
            22   19  20 1
            23    1  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   21  25 1
            29   24  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   29  25 1
            34   27  30 1

» Japanese version   » Back

KEGG   DRUG: Olanzapine
Entry
D00454                      Drug                                   
Name
Olanzapine (JAN/USP/INN);
Zyprexa (TN)
Product
ZYPREXA (Eli Lilly and Company), ZYPREXA (H2-Pharma LLC)
  Generic
OLANZAPINE (A-S Medication Solutions), OLANZAPINE (American Health Packaging), OLANZAPINE (American Health Packaging), OLANZAPINE (American Regent), OLANZAPINE (Aphena Pharma Solutions - Tennessee), OLANZAPINE (Apotex Corp.), OLANZAPINE (Apotex Corp.), OLANZAPINE (Ascend Laboratories), OLANZAPINE (Aurobindo Pharma Limited), OLANZAPINE (Aurobindo Pharma Limited), OLANZAPINE (AvPAK), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Bryant Ranch Prepack), OLANZAPINE (Burel Pharmaceuticals), OLANZAPINE (Cadila Pharmaceuticals Limited), OLANZAPINE (Camber Pharmaceuticals), OLANZAPINE (Cardinal Health 107), OLANZAPINE (Cardinal Health 107), OLANZAPINE (Direct_Rx), OLANZAPINE (Dr. Reddy's Laboratories), OLANZAPINE (Dr. Reddy's Laboratories), OLANZAPINE (Dr. Reddy's Laboratories), OLANZAPINE (Dr.Reddy's Laboratories Limited), OLANZAPINE (Eugia US LLC), OLANZAPINE (Golden State Medical Supply), OLANZAPINE (Golden State Medical Supply), OLANZAPINE (Indoco Remedies Limited), OLANZAPINE (Lannett Company), OLANZAPINE (Macleods Pharmaceuticals Limited), OLANZAPINE (Macleods Pharmaceuticals Limited), OLANZAPINE (Major Pharmaceuticals), OLANZAPINE (Major Pharmaceuticals), OLANZAPINE (Major Pharmaceuticals), OLANZAPINE (Modavar Pharmaceuticals LLC), OLANZAPINE (Mylan Pharmaceuticals), OLANZAPINE (NCS HealthCare of KY), OLANZAPINE (NorthStar RxLLC), OLANZAPINE (NorthStar RxLLC), OLANZAPINE (NuCare Pharmceuticals), OLANZAPINE (PD-Rx Pharmaceuticals), OLANZAPINE (PD-Rx Pharmaceuticals), OLANZAPINE (Par Pharmaceutical), OLANZAPINE (Prasco Laboratories), OLANZAPINE (Preferred Pharmaceuticals), OLANZAPINE (Preferred Pharmaceuticals), OLANZAPINE (Proficient Rx LP), OLANZAPINE (Proficient Rx LP), OLANZAPINE (Proficient Rx LP), OLANZAPINE (Proficient Rx LP), OLANZAPINE (Proficient Rx LP), OLANZAPINE (Proficient Rx LP), OLANZAPINE (Quality Care Products), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (REMEDYREPACK), OLANZAPINE (RPK Pharmaceuticals), OLANZAPINE (RPK Pharmaceuticals), OLANZAPINE (Sandoz), OLANZAPINE (Sandoz), OLANZAPINE (Strides Pharma Science Limited), OLANZAPINE (Teva Pharmaceuticals USA), OLANZAPINE (Torrent Pharmaceuticals Limited), OLANZAPINE (Virtus Pharmaceuticals), OLANZAPINE (Zydus Lifesciences Limited), OLANZAPINE (Zydus Pharmaceuticals USA)
Formula
C17H20N4S
Exact mass
312.1409
Mol weight
312.4325
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01478  Dopamine antagonist
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C07322
Therapeutic category: 1179 2391
ATC code: N05AH03
Chemical structure group: DG00898
Product (DG00898): D00454<JP/US> D06623<US>
Product (mixture): D10206<US> D12117<US>
Efficacy
Antipsychotic
  Disease
Schizophrenia [DS:H01649]
Bipolar I disorder, manic or mixed episodes [DS:H01653]
Comment
Multi-acting-receptor-targeting-antipsychotics (MARTA)
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
HTR6 [HSA:3362] [KO:K04162]
HRH1 [HSA:3269] [KO:K04149]
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
DRD2 [HSA:1813] [KO:K04145]
DRD3 [HSA:1814] [KO:K04146]
DRD4 [HSA:1815] [KO:K04147]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544]; CYP2D6 [HSA:1565]
Interaction
Structure map
map07117  Benzodiazepine family
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines, thiazepines and oxepines
     N05AH03 Olanzapine
      D00454  Olanzapine (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Olanzapine
    D00454  Olanzapine (JAN/USP/INN)
 Bipolar Agents
  Bipolar Agents, Other
   Olanzapine
    D00454  Olanzapine (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00454  Olanzapine (JAN/USP/INN)
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2391  Antiemetics
     D00454  Olanzapine (JAN/USP/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01457  alpha1-Adrenergic receptor antagonist
     DG00898  Olanzapine
      D00454  Olanzapine
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00898  Olanzapine
    D00454  Olanzapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00898  Olanzapine
     D00454  Olanzapine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00898  Olanzapine
     D00454  Olanzapine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00898  Olanzapine
    D00454  Olanzapine
  DG01644  CYP2D6 substrate
   DG00898  Olanzapine
    D00454  Olanzapine
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00454  Olanzapine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00454  Olanzapine (JAN/USP/INN) <JP/US>
   Dopamine
    DRD2
     D00454  Olanzapine (JAN/USP/INN) <JP/US>
    DRD3
     D00454  Olanzapine (JAN/USP/INN) <JP/US>
    DRD4
     D00454  Olanzapine (JAN/USP/INN) <JP/US>
   Histamine
    HRH1
     D00454  Olanzapine (JAN/USP/INN) <JP/US>
   Serotonin
    HTR2
     D00454  Olanzapine (JAN/USP/INN) <JP/US>
    HTR6
     D00454  Olanzapine (JAN/USP/INN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00454
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00454
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00454
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01457  alpha1-Adrenergic receptor antagonist
     DG00898  Olanzapine
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00898  Olanzapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00898  Olanzapine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00898  Olanzapine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00898  Olanzapine
  DG01644  CYP2D6 substrate
   DG00898  Olanzapine
Other DBs
CAS: 132539-06-1
PubChem: 7847520
ChEBI: 7735
LigandBox: D00454
NIKKAJI: J489.991A
LinkDB
KCF data

ATOM        22
            1   C8y C    18.4919  -10.5513
            2   C8y C    17.6483   -9.4316
            3   C8y C    17.9905   -8.0673
            4   N4x N    19.2617   -7.4901
            5   N5x N    19.9065  -10.5817
            6   C8y C    20.5211   -8.1208
            7   C8y C    20.8046   -9.4994
            8   S2x S    16.7987   -7.3203
            9   C8y C    15.7200   -8.2230
            10  C8x C    16.2450   -9.4575
            11  C1a C    14.3803   -7.9003
            12  N1y N    17.7660  -11.7484
            13  C8x C    22.1331   -9.9409
            14  C8x C    23.1798   -9.0111
            15  C8x C    22.8963   -7.6326
            16  C8x C    21.5678   -7.1910
            17  C1x C    16.3806  -11.7887
            18  C1x C    15.7162  -13.0210
            19  N1y N    16.4511  -14.2126
            20  C1x C    17.8365  -14.2422
            21  C1x C    18.5010  -12.9400
            22  C1a C    15.7566  -15.4262
BOND        25
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    9  11 1
            13    1  12 1
            14    7  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18    6  16 2
            19   12  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   12  21 1
            25   19  22 1

» Japanese version   » Back

KEGG   DRUG: Quetiapine fumarate
Entry
D00458                      Drug                                   
Name
Quetiapine fumarate (JP18/USP);
Seroquel (TN)
Product
SEROQUEL (AstraZeneca Pharmaceuticals LP), SEROQUEL (AstraZeneca Pharmaceuticals LP)
  Generic
QUETIAPINE (A-S Medication Solutions), QUETIAPINE (A-S Medication Solutions), QUETIAPINE (A-S Medication Solutions), QUETIAPINE (ACI Healthcare USA), QUETIAPINE (Accord Healthcare), QUETIAPINE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE (Amneal Pharmaceuticals LLC), QUETIAPINE (Aphena Pharma Solutions - Tennessee), QUETIAPINE (AvKARE), QUETIAPINE (BluePoint Laboratories), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Golden State Medical Supply), QUETIAPINE (Macleods Pharmaceuticals Limited), QUETIAPINE (NCS HealthCare of KY), QUETIAPINE (NCS HealthCare of KY), QUETIAPINE (Northstar RxLLC), QUETIAPINE (PD-Rx Pharmaceuticals), QUETIAPINE (Preferred Pharmaceuticals), QUETIAPINE (Proficient Rx LP), QUETIAPINE (Proficient Rx LP), QUETIAPINE (Proficient Rx LP), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (RPK Pharmaceuticals), QUETIAPINE (RPK Pharmaceuticals), QUETIAPINE (RPK Pharmaceuticals), QUETIAPINE (ScieGen Pharmaceuticals), QUETIAPINE (Solco Healthcare U.S.), QUETIAPINE (Solco Healthcare US), QUETIAPINE (Teva Pharmaceuticals USA), QUETIAPINE (Unichem Pharmaceuticals (USA)), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (Accord Healthcare), QUETIAPINE FUMARATE (Accord Healthcare), QUETIAPINE FUMARATE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE FUMARATE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE FUMARATE (Alembic Pharmaceuticals Limited), QUETIAPINE FUMARATE (American Health Packaging), QUETIAPINE FUMARATE (Aphena Pharma Solutions - Tennessee), QUETIAPINE FUMARATE (Aphena Pharma Solutions - Tennessee), QUETIAPINE FUMARATE (Aphena Pharma Solutions - Tennessee), QUETIAPINE FUMARATE (Ascend Laboratories), QUETIAPINE FUMARATE (Aurobindo Pharma Limited), QUETIAPINE FUMARATE (Aurobindo Pharma Limited), QUETIAPINE FUMARATE (AvPAK), QUETIAPINE FUMARATE (BluePoint Laboratories), QUETIAPINE FUMARATE (Bluepoint Laboratories), QUETIAPINE FUMARATE (Bluepoint Laboratories), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Camber Pharmaceuticals), QUETIAPINE FUMARATE (Cardinal Health 107), QUETIAPINE FUMARATE (Direct Rx), QUETIAPINE FUMARATE (Direct_Rx), QUETIAPINE FUMARATE (Direct_Rx), QUETIAPINE FUMARATE (Direct_Rx), QUETIAPINE FUMARATE (Direct_Rx), QUETIAPINE FUMARATE (Direct_Rx), QUETIAPINE FUMARATE (Dr.Reddy's Laboratories Limited), QUETIAPINE FUMARATE (Golden State Medical Supply), QUETIAPINE FUMARATE (Golden State Medical Supply), QUETIAPINE FUMARATE (Ingenus Pharmaceuticals), QUETIAPINE FUMARATE (Lupin Pharmaceuticals), QUETIAPINE FUMARATE (Lupin Pharmaceuticals), QUETIAPINE FUMARATE (Macleods Pharmaceuticals Limited), QUETIAPINE FUMARATE (Major Pharmaceuticals), QUETIAPINE FUMARATE (Major Pharmaceuticals), QUETIAPINE FUMARATE (NCS HealthCare of KY), QUETIAPINE FUMARATE (NorthStar Rx LLC), QUETIAPINE FUMARATE (NuCare Pharmaceuticals), QUETIAPINE FUMARATE (NuCare Pharmaceuticals), QUETIAPINE FUMARATE (NuCare Pharmaceuticals), QUETIAPINE FUMARATE (NuCare Pharmaceuticals), QUETIAPINE FUMARATE (NuCare Pharmaceuticals), QUETIAPINE FUMARATE (NuCare Pharmaceuticals), QUETIAPINE FUMARATE (PD-Rx Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Quality Care Products), QUETIAPINE FUMARATE (Quality Care Products), QUETIAPINE FUMARATE (Quallent Pharmaceuticals Health LLC), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (RPK Pharmaceuticals), QUETIAPINE FUMARATE (Rising Pharma Holdings), QUETIAPINE FUMARATE (Sun Pharmaceutical Industries), QUETIAPINE FUMARATE (Unichem Pharmaceuticals (USA)), QUETIAPINE FUMARATE (West-Ward Pharmaceuticals Corp), QUETIAPINE FUMARATE (XLCare Pharmaceuticals), QUETIAPINE FUMARATE ER (Direct_Rx), QUETIAPINE FUMARATE ER (Direct_Rx), QUETIAPINE FUMARATE ER (Direct_Rx), QUETIAPINE FUMARATE ER (Direct_Rx)
Formula
(C21H25N3O2S)2. C4H4O4
Exact mass
882.3445
Mol weight
883.0864
Structure
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1179
ATC code: N05AH04
Chemical structure group: DG00899
Product (DG00899): D00458<JP/US>
Efficacy
Antipsychotic
  Disease
Schizophrenia [DS:H01649]
Bipolar disorder [DS:H01653]
Comment
Multi-acting-receptor-targeting-antipsychotics (MARTA)
Target
HTR2A [HSA:3356] [KO:K04157]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines, thiazepines and oxepines
     N05AH04 Quetiapine
      D00458  Quetiapine fumarate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  Antidepressants, Other
   Quetiapine
    D00458  Quetiapine fumarate (JP18/USP)
 Antipsychotics
  2nd Generation/Atypical
   Quetiapine
    D00458  Quetiapine fumarate (JP18/USP)
 Bipolar Agents
  Bipolar Agents, Other
   Quetiapine
    D00458  Quetiapine fumarate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00458  Quetiapine fumarate (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00458  Quetiapine fumarate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00458  Quetiapine fumarate (JP18/USP) <JP/US>
   Serotonin
    HTR2A
     D00458  Quetiapine fumarate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00458  Quetiapine fumarate
  D00458  Quetiapine fumarate tablets
  D00458  Quetiapine fumarate fine granules
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00458
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00458
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00899  Quetiapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00899  Quetiapine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00899  Quetiapine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00899  Quetiapine
Other DBs
CAS: 111974-72-2
PubChem: 7847524
ChEBI: 8708
LigandBox: D00458
NIKKAJI: J388.154G
LinkDB
KCF data

ATOM        62
            1   C6a C    22.4475  -22.4692
            2   C2b C    23.6586  -23.1712
            3   O6a O    21.2365  -23.1712
            4   O6a O    22.4475  -21.0711
            5   C2b C    24.8753  -22.4692
            6   C6a C    26.0863  -23.1712
            7   O6a O    27.2973  -22.4692
            8   O6a O    26.0863  -24.5693
            9   C8y C    16.3800  -19.7400
            10  N2x N    15.5400  -20.8600
            11  C2y C    14.1400  -20.8600
            12  C8y C    13.2300  -19.8100
            13  C8y C    16.1000  -18.4100
            14  C8y C    13.5100  -18.4100
            15  S2x S    14.7700  -17.7800
            16  C8x C    12.4600  -17.5000
            17  C8x C    11.1300  -17.9200
            18  C8x C    10.8500  -19.3200
            19  C8x C    11.9000  -20.2300
            20  C8x C    17.7800  -20.1600
            21  C8x C    18.7600  -19.1800
            22  C8x C    18.4100  -17.7800
            23  C8x C    17.0800  -17.4300
            24  N1y N    13.5100  -22.1200
            25  C1x C    12.1800  -22.2600
            26  C1x C    11.5500  -23.5200
            27  N1y N    12.3900  -24.7100
            28  C1x C    13.7200  -24.5700
            29  C1x C    14.3500  -23.3100
            30  C1b C    11.8300  -25.9700
            31  C1b C    10.4300  -25.9700
            32  O2a O     9.7300  -24.7800
            33  C1b C     8.3300  -24.7800
            34  C1b C     7.6300  -23.5900
            35  O1a O     6.2300  -23.5900
            36  C8y C    16.3800  -19.7400
            37  C8y C    16.1000  -18.4100
            38  S2x S    14.7700  -17.7800
            39  C8y C    13.5100  -18.4100
            40  C8y C    13.2300  -19.8100
            41  C2y C    14.1400  -20.8600
            42  N2x N    15.5400  -20.8600
            43  N1y N    13.5100  -22.1200
            44  C1x C    12.1800  -22.2600
            45  C1x C    11.5500  -23.5200
            46  N1y N    12.3900  -24.7100
            47  C1x C    13.7200  -24.5700
            48  C1x C    14.3500  -23.3100
            49  C1b C    11.8300  -25.9700
            50  C1b C    10.4300  -25.9700
            51  O2a O     9.7300  -24.7800
            52  C1b C     8.3300  -24.7800
            53  C1b C     7.6300  -23.5900
            54  O1a O     6.2300  -23.5900
            55  C8x C    11.9000  -20.2300
            56  C8x C    10.8500  -19.3200
            57  C8x C    11.1300  -17.9200
            58  C8x C    12.4600  -17.5000
            59  C8x C    17.0800  -17.4300
            60  C8x C    18.4100  -17.7800
            61  C8x C    18.7600  -19.1800
            62  C8x C    17.7800  -20.1600
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  12 1
            9     9  13 1
            10   12  14 1
            11   10  11 2
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   12  19 2
            20    9  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   13  23 2
            25   11  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   24  29 1
            32   27  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   41  40 1
            39   36  37 1
            40   40  39 1
            41   42  41 2
            42   37  38 1
            43   36  42 1
            44   39  38 1
            45   39  58 2
            46   58  57 1
            47   57  56 2
            48   56  55 1
            49   40  55 2
            50   36  62 2
            51   62  61 1
            52   61  60 2
            53   60  59 1
            54   37  59 2
            55   41  43 1
            56   43  44 1
            57   44  45 1
            58   45  46 1
            59   46  47 1
            60   47  48 1
            61   43  48 1
            62   46  49 1
            63   49  50 1
            64   50  51 1
            65   51  52 1
            66   52  53 1
            67   53  54 1
BRACKET     1     4.4800  -26.8800    4.4800  -16.8000
            1    19.1800  -16.8000   19.1800  -26.8800
            1  2
 ORIGINAL  1    9  13  15  14  12  11  10  24  25  26  27  28  29  30  31  32
            1   33  34  35  19  18  17  16  23  22  21  20
 REPEAT    1   36  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51
            1   52  53  54  55  56  57  58  59  60  61  62

» Japanese version   » Back

KEGG   DRUG: Prochlorperazine maleate
Entry
D00479                      Drug                                   
Name
Prochlorperazine maleate (JP18/USP);
Compazine (TN)
Product
  Generic
PROCHLORPERAZINE (PharmPak), PROCHLORPERAZINE (PharmPak), PROCHLORPERAZINE MALEATE (A-S Medication Solutions), PROCHLORPERAZINE MALEATE (ANI Pharmaceuticals), PROCHLORPERAZINE MALEATE (Amneal Pharmaceuticals NY LLC), PROCHLORPERAZINE MALEATE (AvPAK), PROCHLORPERAZINE MALEATE (Bionpharma), PROCHLORPERAZINE MALEATE (Bryant Ranch Prepack), PROCHLORPERAZINE MALEATE (Bryant Ranch Prepack), PROCHLORPERAZINE MALEATE (Cardinal Health 107), PROCHLORPERAZINE MALEATE (Direct_Rx), PROCHLORPERAZINE MALEATE (GLENMARK PHARMACEUTICALS), PROCHLORPERAZINE MALEATE (JUBILANT CADISTA PHARMACEUTICALS), PROCHLORPERAZINE MALEATE (Major Pharmaceuticals), PROCHLORPERAZINE MALEATE (Northstar Rx LLC), PROCHLORPERAZINE MALEATE (Northwind Pharmaceuticals), PROCHLORPERAZINE MALEATE (Northwind Pharmaceuticals), PROCHLORPERAZINE MALEATE (PD-Rx Pharmaceuticals), PROCHLORPERAZINE MALEATE (Preferred Pharmaceuticlas), PROCHLORPERAZINE MALEATE (Proficient Rx LP), PROCHLORPERAZINE MALEATE (QPharma), PROCHLORPERAZINE MALEATE (Zydus Lifesciences Limited), PROCHLORPERAZINE MALEATE (Zydus Pharmaceuticals (USA))
Formula
C20H24ClN3S. (C4H4O4)2
Exact mass
605.1599
Mol weight
606.087
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
Therapeutic category: 1172
ATC code: N05AB04
Chemical structure group: DG00876
Product (DG00876): D00493<US> D00479<JP/US> D02022<JP> D02609<US>
Efficacy
Antipsychotic, Anti-emetic, Dopamine D2 receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB04 Prochlorperazine
      D00479  Prochlorperazine maleate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Prochlorperazine
    D00479  Prochlorperazine maleate (JP18/USP)
 Antipsychotics
  1st Generation/Typical
   Prochlorperazine
    D00479  Prochlorperazine maleate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1172  Phenothiazines
     D00479  Prochlorperazine maleate (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00876  Prochlorperazine
     D00479  Prochlorperazine maleate
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00876  Prochlorperazine
     D00479  Prochlorperazine maleate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00479  Prochlorperazine maleate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00479  Prochlorperazine maleate
  D00479  Prochlorperazine maleate tablets
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00876  Prochlorperazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00876  Prochlorperazine
Other DBs
CAS: 84-02-6
PubChem: 7847545
ChEBI: 8436
LigandBox: D00479
NIKKAJI: J215.253C
LinkDB
KCF data

ATOM        41
            1   C2b C    39.0699  -17.9328
            2   C2b C    37.4396  -17.9386
            3   C6a C    39.7454  -19.1089
            4   C6a C    36.7699  -19.1205
            5   O6a O    39.0756  -20.2792
            6   O6a O    41.1078  -19.0915
            7   O6a O    35.4074  -19.1205
            8   O6a O    37.4510  -20.2909
            9   C8x C    22.1200  -19.3900
            10  C8x C    22.1200  -20.7900
            11  C8x C    23.3100  -21.4900
            12  C8y C    24.5700  -20.7900
            13  C8y C    24.5700  -19.3900
            14  C8x C    23.3100  -18.6900
            15  S2x S    25.7600  -21.4900
            16  C8y C    26.9500  -20.7900
            17  C8y C    26.9500  -19.3900
            18  N4y N    25.7600  -18.6900
            19  C8x C    28.2100  -21.4900
            20  C8x C    29.4000  -20.7900
            21  C8y C    29.4000  -19.3900
            22  C8x C    28.2100  -18.6900
            23  C1b C    25.7600  -17.2900
            24  X   Cl   30.5900  -18.6900
            25  C1b C    26.9500  -16.5900
            26  C1b C    28.1400  -17.2900
            27  N1y N    29.3300  -16.5900
            28  C1x C    30.5200  -17.2900
            29  C1x C    31.7800  -16.5900
            30  N1y N    31.7800  -15.1900
            31  C1x C    30.5900  -14.4900
            32  C1x C    29.3300  -15.1900
            33  C1a C    32.9700  -14.4900
            34  C2b C    39.0699  -17.9328
            35  C2b C    37.4396  -17.9386
            36  C6a C    36.7699  -19.1205
            37  O6a O    35.4074  -19.1205
            38  O6a O    37.4510  -20.2909
            39  C6a C    39.7454  -19.1089
            40  O6a O    39.0756  -20.2792
            41  O6a O    41.1078  -19.0915
BOND        42
            1     9  10 2
            2    10  11 1
            3    11  12 2
            4    12  13 1
            5    13  14 2
            6     9  14 1
            7    12  15 1
            8    15  16 1
            9    16  17 1
            10   17  18 1
            11   13  18 1
            12   16  19 2
            13   19  20 1
            14   20  21 2
            15   21  22 1
            16   17  22 2
            17   18  23 1
            18   21  24 1
            19   23  25 1
            20   25  26 1
            21   26  27 1
            22   27  28 1
            23   28  29 1
            24   29  30 1
            25   30  31 1
            26   31  32 1
            27   27  32 1
            28   30  33 1
            29    1   2 2
            30    1   3 1
            31    2   4 1
            32    3   5 1
            33    3   6 2
            34    4   7 1
            35    4   8 2
            36   34  35 2
            37   34  39 1
            38   35  36 1
            39   39  40 1
            40   39  41 2
            41   36  37 1
            42   36  38 2
BRACKET     1    34.1600  -21.1400   34.1600  -16.9400
            1    41.6500  -16.9400   41.6500  -21.1400
            1  2
 ORIGINAL  1    1   2   4   7   8   3   5   6
 REPEAT    1   34  35  36  37  38  39  40  41

» Japanese version   » Back

KEGG   DRUG: Prochlorperazine
Entry
D00493                      Drug                                   
Name
Prochlorperazine (JAN/USP/INN);
Compro (TN)
Product
  Generic
COMPRO (PD-Rx Pharmaceuticals), COMPRO (Padagis US LLC), PROCHLORPERAZINE (Cosette Pharmaceuticals)
Formula
C20H24ClN3S
Exact mass
373.1379
Mol weight
373.9427
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
Same as: C07403
ATC code: N05AB04
Chemical structure group: DG00876
Product (DG00876): D00493<US> D00479<JP/US> D02022<JP> D02609<US>
Efficacy
Antipsychotic, Anti-emetic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB04 Prochlorperazine
      D00493  Prochlorperazine (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Prochlorperazine
    D00493  Prochlorperazine (JAN/USP/INN)
 Antipsychotics
  1st Generation/Typical
   Prochlorperazine
    D00493  Prochlorperazine (JAN/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00876  Prochlorperazine
     D00493  Prochlorperazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00876  Prochlorperazine
     D00493  Prochlorperazine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00493  Prochlorperazine (JAN/USP/INN) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00876  Prochlorperazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00876  Prochlorperazine
Other DBs
CAS: 58-38-8
PubChem: 7847559
ChEBI: 8435
PDB-CCD: P77[PDBj]
LigandBox: D00493
NIKKAJI: J1.386B
LinkDB
KCF data

ATOM        25
            1   C8x C     9.8700  -14.4200
            2   C8x C     9.8700  -15.8200
            3   C8x C    11.0824  -16.5200
            4   C8y C    12.2949  -15.8200
            5   C8y C    12.2949  -14.4200
            6   C8x C    11.0824  -13.7200
            7   S2x S    13.5073  -16.5200
            8   C8y C    14.7197  -15.8200
            9   C8y C    14.7197  -14.4200
            10  N4y N    13.5073  -13.7200
            11  C8x C    15.9322  -16.5200
            12  C8x C    17.1446  -15.8200
            13  C8y C    17.1446  -14.4200
            14  C8x C    15.9322  -13.7200
            15  C1b C    13.5073  -12.3200
            16  X   Cl   18.3611  -13.7177
            17  C1b C    14.7218  -11.6188
            18  C1b C    15.9183  -12.3098
            19  N1y N    17.1051  -11.6246
            20  C1x C    18.2966  -12.3128
            21  C1x C    19.5091  -11.6129
            22  N1y N    19.5093  -10.2129
            23  C1x C    18.3178   -9.5248
            24  C1x C    17.1053  -10.2246
            25  C1a C    20.7341   -9.5058
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   13  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   22  25 1

» Japanese version   » Back

KEGG   DRUG: Pergolide mesylate
Entry
D00502                      Drug                                   
Name
Pergolide mesylate (USP);
Pergolide mesilate (JAN);
Permax (TN)
Formula
C19H26N2S. CH4SO3
Exact mass
410.1698
Mol weight
410.5938
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
 DG01964  Ergot alkaloid
 DG01967  Antiparkinson agent
Remark
Therapeutic category: 1169
ATC code: N04BC02
Chemical structure group: DG00861
Product (DG00861): D00502<JP>
Efficacy
Antiparkinsonian, Dopamine receptor agonist
Comment
Ergot alkaloid derivative
Target
DRD1 [HSA:1812] [KO:K04144]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
hsa05012  Parkinson disease
Interaction
Structure map
map07057  Antiparkinsonian agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BC Dopamine agonists
     N04BC02 Pergolide
      D00502  Pergolide mesylate (USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D00502  Pergolide mesylate (USP); Pergolide mesilate (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01472  Dopamine agonist
   DG00861  Pergolide
    D00502  Pergolide mesylate
  DG01964  Ergot alkaloid
   DG00861  Pergolide
    D00502  Pergolide mesylate
  DG01967  Antiparkinson agent
   DG00861  Pergolide
    D00502  Pergolide mesylate
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   D00502  Pergolide mesylate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D00502  Pergolide mesylate (USP) <JP>
    DRD2
     D00502  Pergolide mesylate (USP) <JP>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01472  Dopamine agonist
   DG00861  Pergolide
  DG01964  Ergot alkaloid
   DG00861  Pergolide
  DG01967  Antiparkinson agent
   DG00861  Pergolide
Other DBs
CAS: 66104-23-2
PubChem: 7847568
ChEBI: 8021
LigandBox: D00502
NIKKAJI: J394.691F
LinkDB
KCF data

ATOM        27
            1   C8y C    18.8582  -21.8811
            2   C8y C    18.8640  -20.5217
            3   C8y C    20.0310  -22.5639
            4   C8y C    17.6679  -22.5579
            5   C1y C    20.0368  -19.8390
            6   C8x C    17.6855  -19.8156
            7   C1x C    21.2097  -21.8870
            8   C8x C    20.0310  -23.9233
            9   N4x N    17.6679  -23.9233
            10  C8x C    16.4893  -21.8637
            11  C1y C    21.2097  -20.5217
            12  C1x C    20.0484  -18.4796
            13  C8x C    16.4951  -20.4924
            14  N1y N    22.3941  -19.8566
            15  C1y C    21.2329  -17.8144
            16  C1x C    22.4057  -18.4970
            17  C1b C    23.5610  -20.5391
            18  C1b C    21.2388  -16.4432
            19  C1b C    24.7513  -19.8682
            20  S2a S    22.4233  -15.7663
            21  C1a C    25.9241  -20.5625
            22  C1a C    22.4349  -14.4011
            23  S4a S    31.2682  -20.5100
            24  C1a C    29.8738  -20.4926
            25  O1d O    32.6628  -20.5042
            26  O1d O    31.2682  -19.1039
            27  O1d O    31.2625  -21.9104
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1
            17   15  18 1 #Up
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22    7  11 1
            23    8   9 1
            24   10  13 2
            25   15  16 1
            26   23  24 1
            27   23  25 1
            28   23  26 2
            29   23  27 2

» Japanese version   » Back

KEGG   DRUG: Perphenazine
Entry
D00503                      Drug                                   
Name
Perphenazine (JP18/USP/INN);
Trilafon (TN)
Product
  Generic
PERPHENAZINE (Actavis Pharma), PERPHENAZINE (American Health Packaging), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Bryant Ranch Prepack), PERPHENAZINE (Chartwell RX), PERPHENAZINE (GOLDEN STATE MEDICAL SUPPLY), PERPHENAZINE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), PERPHENAZINE (Major Pharmaceuticals), PERPHENAZINE (Par Pharmaceutical), PERPHENAZINE (Proficient Rx LP), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (REMEDYREPACK), PERPHENAZINE (Rising Pharmaceuticals), PERPHENAZINE (Sandoz), PERPHENAZINE (Wilshire Pharmaceuticals), PERPHENAZINE (Zydus Lifesciences Limited), PERPHENAZINE (Zydus Pharmaceuticals (USA))
Formula
C21H26ClN3OS
Exact mass
403.1485
Mol weight
403.9686
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C07427
Therapeutic category: 1172
ATC code: N05AB03
Chemical structure group: DG00875
Product (DG00875): D00503<JP/US> D02037<JP> D04038<JP> D04965<JP>
Product (mixture): D10294<US>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB03 Perphenazine
      D00503  Perphenazine (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Perphenazine
    D00503  Perphenazine (JP18/USP/INN)
 Antipsychotics
  1st Generation/Typical
   Perphenazine
    D00503  Perphenazine (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1172  Phenothiazines
     D00503  Perphenazine (JP18/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00875  Perphenazine
     D00503  Perphenazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00875  Perphenazine
     D00503  Perphenazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00875  Perphenazine
    D00503  Perphenazine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00503  Perphenazine (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00503  Perphenazine
  D00503  Perphenazine tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00503
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00503
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00875  Perphenazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00875  Perphenazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00875  Perphenazine
Other DBs
CAS: 58-39-9
PubChem: 7847569
ChEBI: 8028
LigandBox: D00503
NIKKAJI: J1.387K
LinkDB
KCF data

ATOM        27
            1   C8x C    16.1000  -11.4100
            2   C8x C    16.1000  -12.8100
            3   C8x C    17.3124  -13.5100
            4   C8y C    18.5249  -12.8100
            5   C8y C    18.5249  -11.4100
            6   C8x C    17.3124  -10.7100
            7   S2x S    19.7373  -13.5100
            8   C8y C    20.9497  -12.8100
            9   C8y C    20.9497  -11.4100
            10  N4y N    19.7373  -10.7100
            11  C8x C    22.1622  -13.5100
            12  C8x C    23.3746  -12.8100
            13  C8y C    23.3746  -11.4100
            14  C8x C    22.1622  -10.7100
            15  C1b C    19.7373   -9.3100
            16  C1b C    20.9518   -8.6088
            17  C1b C    22.1483   -9.2998
            18  N1y N    23.3351   -8.6146
            19  C1x C    24.5266   -9.3028
            20  C1x C    25.7391   -8.6029
            21  N1y N    25.7393   -7.2029
            22  C1x C    24.5478   -6.5148
            23  C1x C    23.3353   -7.2146
            24  C1b C    26.9641   -6.4958
            25  C1b C    28.1720   -7.1932
            26  O1a O    29.3532   -6.5113
            27  X   Cl   24.5911  -10.7077
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   13  27 1

» Japanese version   » Back

KEGG   DRUG: Pimozide
Entry
D00560                      Drug                                   
Name
Pimozide (JP18/USP/INN);
Orap (TN)
Product
  Generic
PIMOZIDE (Par Pharmaceutical)
Formula
C28H29F2N3O
Exact mass
461.2279
Mol weight
461.5462
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C07566
ATC code: N05AG02
Product: D00560<US>
Efficacy
Antipsychotic, Dopamine receptor antagonist
  Disease
Tourette’s disorder [DS:H00862]
Comment
Diphenylbutylpiperidine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
ADRA2A [HSA:150] [KO:K04138]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2D6 [HSA:1565]
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AG Diphenylbutylpiperidine derivatives
     N05AG02 Pimozide
      D00560  Pimozide (JP18/USP/INN) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Pimozide
    D00560  Pimozide (JP18/USP/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   D00560  Pimozide
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00560  Pimozide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2A
     D00560  Pimozide (JP18/USP/INN) <US>
   Dopamine
    DRD2
     D00560  Pimozide (JP18/USP/INN) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00560  Pimozide
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00560
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00560
Other DBs
CAS: 2062-78-4
PubChem: 7847626
ChEBI: 8212
PDB-CCD: 1II[PDBj]
LigandBox: D00560
NIKKAJI: J3.698F
LinkDB
KCF data

ATOM        34
            1   C8x C     3.3600  -23.5200
            2   C8y C     3.3600  -24.9200
            3   C8x C     4.5724  -25.6200
            4   C8x C     5.7849  -24.9200
            5   C8y C     5.7849  -23.5200
            6   C8x C     4.5724  -22.8200
            7   C8x C     8.2097  -24.9200
            8   C8y C     8.2097  -23.5200
            9   C1c C     6.9973  -22.8200
            10  C8x C     9.4222  -25.6200
            11  C8y C    10.6346  -24.9200
            12  C8x C    10.6346  -23.5200
            13  C8x C     9.4222  -22.8200
            14  X   F     2.1476  -25.6200
            15  X   F    11.8511  -25.6223
            16  C1b C     6.9973  -21.4200
            17  C1b C     8.2118  -20.7188
            18  C1b C     9.4083  -21.4098
            19  N1y N    10.5951  -20.7246
            20  C1x C    11.7866  -21.4128
            21  C1x C    12.9991  -20.7129
            22  C1y C    12.9993  -19.3129
            23  C1x C    11.8078  -18.6248
            24  C1x C    10.5953  -19.3246
            25  N4y N    14.2241  -18.6058
            26  C8y C    14.2241  -17.2058
            27  O5x O    13.0074  -16.5032
            28  C8y C    15.5556  -19.0384
            29  C8y C    16.3785  -17.9058
            30  N4x N    15.5556  -16.7732
            31  C8x C    17.7785  -17.9058
            32  C8x C    18.4851  -19.1295
            33  C8x C    17.7922  -20.3294
            34  C8x C    16.3803  -20.3296
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    2  14 1
            16   11  15 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 2
            30   25  28 1
            31   28  29 2
            32   29  30 1
            33   26  30 1
            34   29  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   34  28 1

» Japanese version   » Back

KEGG   DRUG: Sertindole
Entry
D00561                      Drug                                   
Name
Sertindole (USAN/INN);
SerLect (TN)
Formula
C24H26ClFN4O
Exact mass
440.1779
Mol weight
440.9408
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
Same as: C07567
ATC code: N05AE03
Efficacy
Antipsychotic, Neuroleptic
Target
HTR2A [HSA:3356] [KO:K04157]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07028  Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AE Indole derivatives
     N05AE03 Sertindole
      D00561  Sertindole (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    D00561  Sertindole
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00561  Sertindole (USAN/INN)
   Serotonin
    HTR2A
     D00561  Sertindole (USAN/INN)
Other DBs
CAS: 106516-24-9
PubChem: 7847627
ChEBI: 9122
LigandBox: D00561
NIKKAJI: J380.356B
LinkDB
KCF data

ATOM        31
            1   C8y C     6.0200  -19.6000
            2   C8x C     6.0200  -21.0000
            3   C8x C     7.2324  -21.7000
            4   C8y C     8.4449  -21.0000
            5   C8y C     8.4449  -19.6000
            6   C8x C     7.2324  -18.9000
            7   N4y N     9.6573  -21.7000
            8   C8x C    10.8698  -21.0000
            9   C8y C    10.8698  -19.6000
            10  C8y C     9.6573  -23.1000
            11  C8x C     8.4469  -23.7988
            12  C8x C     8.4469  -25.1988
            13  C8y C     9.6593  -25.8988
            14  C8x C    10.8698  -25.2000
            15  C8x C    10.8698  -23.8000
            16  X   Cl    4.8076  -18.9000
            17  X   F     9.6593  -27.3000
            18  C1y C    12.0822  -18.9000
            19  C1x C    13.3153  -19.6122
            20  C1x C    14.5279  -18.9124
            21  N1y N    14.5281  -17.5124
            22  C1x C    13.2950  -16.8002
            23  C1x C    12.0824  -17.5000
            24  C1b C    15.7699  -16.7956
            25  C1b C    16.9691  -17.4883
            26  N1y N    18.1547  -16.8040
            27  C5x C    19.2982  -17.6133
            28  N1x N    20.4193  -16.7747
            29  C1x C    19.9682  -15.4494
            30  C1x C    18.5683  -15.4688
            31  O5x O    19.3165  -19.0400
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    7  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18    1  16 1
            19   13  17 1
            20    9  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   26  30 1
            35   27  31 2

» Japanese version   » Back

KEGG   DRUG: Metoclopramide
Entry
D00726                      Drug                                   
Name
Metoclopramide (JP18/INN);
Elieten (TN);
Terperan (TN)
Formula
C14H22ClN3O2
Exact mass
299.1401
Mol weight
299.7964
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Gastrointestinal agent
 DG01763  Propulsive
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
  DG01783  Benzamide type antiemetic
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07868
Therapeutic category: 2399
ATC code: A03FA01
Chemical structure group: DG00055
Product (DG00055): D00726<JP> D02213<JP> D05008<US>
Efficacy
Anti-emetic, Prokinetic, Dopamine D2 receptor antagonist
Comment
Benzamide derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07028  Antipsychotics
map07048  Antimigraines
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03F PROPULSIVES
    A03FA Propulsives
     A03FA01 Metoclopramide
      D00726  Metoclopramide (JP18/INN) <JP>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Metoclopramide
    D00726  Metoclopramide (JP18/INN)
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Metoclopramide
    D00726  Metoclopramide (JP18/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D00726  Metoclopramide (JP18/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00055  Metoclopramide
     D00726  Metoclopramide
 Gastrointestinal agent
  DG01763  Propulsive
   DG00055  Metoclopramide
    D00726  Metoclopramide
  DG01489  5-HT3-receptor antagonist
   DG00055  Metoclopramide
    D00726  Metoclopramide
  DG01762  Antiemetic
   DG01783  Benzamide type antiemetic
    DG00055  Metoclopramide
     D00726  Metoclopramide
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00055  Metoclopramide
    D00726  Metoclopramide
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00055  Metoclopramide
    D00726  Metoclopramide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00726  Metoclopramide (JP18/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00726  Metoclopramide
  D00726  Metoclopramide tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00726
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00055  Metoclopramide
 Gastrointestinal agent
  DG01763  Propulsive
   DG00055  Metoclopramide
  DG01489  5-HT3-receptor antagonist
   DG00055  Metoclopramide
  DG01762  Antiemetic
   DG01783  Benzamide type antiemetic
    DG00055  Metoclopramide
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00055  Metoclopramide
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00055  Metoclopramide
Other DBs
CAS: 364-62-5
PubChem: 7847791
ChEBI: 107736
LigandBox: D00726
NIKKAJI: J2.037K
LinkDB
KCF data

ATOM        20
            1   C8y C    27.1658  -16.8047
            2   C8y C    27.1658  -15.4044
            3   C8x C    25.9755  -17.5049
            4   C5a C    28.4261  -17.5049
            5   C8x C    25.9755  -14.7043
            6   O2a O    28.4261  -14.7043
            7   C8y C    24.7854  -16.8047
            8   N1b N    29.6164  -16.8047
            9   O5a O    28.4261  -18.9052
            10  C8y C    24.7854  -15.4044
            11  C1a C    29.6164  -15.4044
            12  X   Cl   23.5951  -17.5049
            13  C1b C    30.8766  -17.5049
            14  N1a N    23.5951  -14.7043
            15  C1b C    32.0669  -16.8047
            16  N1c N    33.2572  -17.5049
            17  C1b C    34.5175  -16.8047
            18  C1b C    33.2572  -18.9052
            19  C1a C    35.7077  -17.5049
            20  C1a C    34.5175  -19.6053
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7  10 2

» Japanese version   » Back

KEGG   DRUG: Chlorpromazine hydrochloride
Entry
D00789                      Drug                                   
Name
Chlorpromazine hydrochloride (JP18/USP);
Sonazine (TN)
Product
  Generic
CHLORPROMAZINE (Alembic Pharmaceuticals Limited), CHLORPROMAZINE (Alembic Pharmaceuticals), CHLORPROMAZINE HCI (HF Acquisition Co LLC), CHLORPROMAZINE HYDROCHLORIDE (American Health Packaging), CHLORPROMAZINE HYDROCHLORIDE (Amneal Pharmaceuticals NY LLC), CHLORPROMAZINE HYDROCHLORIDE (AvPAK), CHLORPROMAZINE HYDROCHLORIDE (Chartwell RX), CHLORPROMAZINE HYDROCHLORIDE (Eugia US LLC), CHLORPROMAZINE HYDROCHLORIDE (General Injectables and Vaccines), CHLORPROMAZINE HYDROCHLORIDE (Glenmark Pharmaceuticals), CHLORPROMAZINE HYDROCHLORIDE (Golden State Medical Supply), CHLORPROMAZINE HYDROCHLORIDE (Henry Schein), CHLORPROMAZINE HYDROCHLORIDE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), CHLORPROMAZINE HYDROCHLORIDE (Hikma Pharmaceuticals USA), CHLORPROMAZINE HYDROCHLORIDE (Lannett Company), CHLORPROMAZINE HYDROCHLORIDE (Major Pharmaceuticals), CHLORPROMAZINE HYDROCHLORIDE (Northstar Rx LLC), CHLORPROMAZINE HYDROCHLORIDE (Novadoz Pharmaceuticals LLC), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (REMEDYREPACK), CHLORPROMAZINE HYDROCHLORIDE (Sandoz), CHLORPROMAZINE HYDROCHLORIDE (Sun Pharmaceutical Industries), CHLORPROMAZINE HYDROCHLORIDE (Upsher-Smith Laboratories), CHLORPROMAZINE HYDROCHLORIDE (Zameer Pharmaceuticals LLC), CHLORPROMAZINE HYDROCHLORIDE (Zydus Lifesciences Limited), CHLORPROMAZINE HYDROCHLORIDE (Zydus Lifesciences Limited), CHLORPROMAZINE HYDROCHLORIDE (Zydus Pharmaceuticals (USA)), CHLORPROMAZINE HYDROCHLORIDE (Zydus Pharmaceuticals USA)
Formula
C17H19ClN2S. HCl
Exact mass
354.0724
Mol weight
355.3251
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG01491  Muscarinic cholinergic receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07952
Therapeutic category: 1171
ATC code: N05AA01
Chemical structure group: DG00867
Product (DG00867): D00789<JP/US> D04034<JP>
Efficacy
Anti-emetic, Antipsychotic
  Disease
Schizophrenia [DS:H01649]
Acute intermittent porphyria [DS:H00202 H01763]
Tetanus [DS:H00337]
Manic-depressive illness [DS:H01653]
Comment
Phenothiazine derivative
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
HRH1 [HSA:3269] [KO:K04149]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
DRD2 [HSA:1813] [KO:K04145]
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07028  Antipsychotics
map07029  Antipsychotics - phenothiazines
map07048  Antimigraines
map07212  Histamine H1 receptor antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AA Phenothiazines with aliphatic side-chain
     N05AA01 Chlorpromazine
      D00789  Chlorpromazine hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Chlorpromazine
    D00789  Chlorpromazine hydrochloride (JP18/USP)
 Antipsychotics
  1st Generation/Typical
   Chlorpromazine
    D00789  Chlorpromazine hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1171  Chlorpromazines
     D00789  Chlorpromazine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG00867  Chlorpromazine
      D00789  Chlorpromazine hydrochloride
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00867  Chlorpromazine
     D00789  Chlorpromazine hydrochloride
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00867  Chlorpromazine
    D00789  Chlorpromazine hydrochloride
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00867  Chlorpromazine
     D00789  Chlorpromazine hydrochloride
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00867  Chlorpromazine
     D00789  Chlorpromazine hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00867  Chlorpromazine
    D00789  Chlorpromazine hydrochloride
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00867  Chlorpromazine
    D00789  Chlorpromazine hydrochloride
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00789  Chlorpromazine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00789  Chlorpromazine hydrochloride (JP18/USP) <JP/US>
   Adrenaline
    ADRA2
     D00789  Chlorpromazine hydrochloride (JP18/USP) <JP/US>
   Dopamine
    DRD2
     D00789  Chlorpromazine hydrochloride (JP18/USP) <JP/US>
   Histamine
    HRH1
     D00789  Chlorpromazine hydrochloride (JP18/USP) <JP/US>
   Serotonin
    HTR2
     D00789  Chlorpromazine hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00789  Chlorpromazine hydrochloride
  D00789  Chlorpromazine hydrochloride tablets
  D00789  Chlorpromazine hydrochloride injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00789
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG00867  Chlorpromazine
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00867  Chlorpromazine
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00867  Chlorpromazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00867  Chlorpromazine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00867  Chlorpromazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00867  Chlorpromazine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00867  Chlorpromazine
Other DBs
CAS: 69-09-0
PubChem: 7847854
ChEBI: 3649
LigandBox: D00789
NIKKAJI: J237.634B
LinkDB
KCF data

ATOM        22
            1   C8x C    22.8265  -17.0415
            2   C8x C    22.8265  -18.4441
            3   C8x C    24.0411  -19.1454
            4   C8y C    25.2559  -18.4441
            5   C8y C    25.2559  -17.0415
            6   C8x C    24.0411  -16.3402
            7   S2x S    26.4706  -19.1454
            8   C8y C    27.6853  -18.4441
            9   C8y C    27.6853  -17.0415
            10  N4y N    26.4706  -16.3402
            11  C8x C    28.9001  -19.1454
            12  C8x C    30.1147  -18.4441
            13  C8y C    30.1147  -17.0415
            14  C8x C    28.9001  -16.3402
            15  C1b C    26.4706  -14.9375
            16  C1b C    27.6874  -14.2350
            17  C1b C    28.8861  -14.9273
            18  N1c N    30.0752  -14.2408
            19  C1a C    31.2689  -14.9303
            20  C1a C    30.0754  -12.8338
            21  X   Cl   31.3335  -16.3379
            22  X   Cl   34.2300  -17.7100
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1

» Japanese version   » Back

KEGG   DRUG: Fluphenazine hydrochloride
Entry
D00791                      Drug                                   
Name
Fluphenazine hydrochloride (JAN/USP);
Prolixin (TN)
Product
  Generic
FLUPHENAZINE HYDROCHLORIDE (Ajanta Pharma USA), FLUPHENAZINE HYDROCHLORIDE (American Health Packaging), FLUPHENAZINE HYDROCHLORIDE (American Health Packaging), FLUPHENAZINE HYDROCHLORIDE (Amneal Pharmaceuticals NY LLC), FLUPHENAZINE HYDROCHLORIDE (Apotex Corp.), FLUPHENAZINE HYDROCHLORIDE (Aurobindo Pharma Limited), FLUPHENAZINE HYDROCHLORIDE (AvPAK), FLUPHENAZINE HYDROCHLORIDE (AvPAK), FLUPHENAZINE HYDROCHLORIDE (Chartwell RX), FLUPHENAZINE HYDROCHLORIDE (Dr. Reddy's Laboratories), FLUPHENAZINE HYDROCHLORIDE (Fresenius Kabi USA), FLUPHENAZINE HYDROCHLORIDE (Glenmark Pharmaceuticals), FLUPHENAZINE HYDROCHLORIDE (Golden State Medical Supply), FLUPHENAZINE HYDROCHLORIDE (Lannett Company), FLUPHENAZINE HYDROCHLORIDE (Major Pharmaceuticals), FLUPHENAZINE HYDROCHLORIDE (Marlex Pharmaceuticals), FLUPHENAZINE HYDROCHLORIDE (Northstar Rx LLC), FLUPHENAZINE HYDROCHLORIDE (Novadoz Pharmaceuticals LLC), FLUPHENAZINE HYDROCHLORIDE (Novitium Pharma LLC), FLUPHENAZINE HYDROCHLORIDE (PAI Holdings), FLUPHENAZINE HYDROCHLORIDE (Pharmaceutical Associates), FLUPHENAZINE HYDROCHLORIDE (Proficient Rx LP), FLUPHENAZINE HYDROCHLORIDE (REMEDYREPACK), FLUPHENAZINE HYDROCHLORIDE (REMEDYREPACK), FLUPHENAZINE HYDROCHLORIDE (REMEDYREPACK), FLUPHENAZINE HYDROCHLORIDE (REMEDYREPACK), FLUPHENAZINE HYDROCHLORIDE (REMEDYREPACK), FLUPHENAZINE HYDROCHLORIDE (TWi Pharmaceuticals), FLUPHENAZINE HYDROCHLORIDE (Taro Pharmaceuticals U.S.A.), FLUPHENAZINE HYDROCHLORIDE (Upsher-Smith Laboratories), FLUPHENAZINE HYDROCHLORIDE (Zameer Pharmaceuticals LLC), FLUPHENAZINE HYDROCHLORIDE (Zydus Lifesciences Limited), FLUPHENAZINE HYDROCHLORIDE (Zydus Pharmaceuticals (USA))
Formula
C22H26F3N3OS. 2HCl
Exact mass
509.1282
Mol weight
510.4434
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N05AB02
Chemical structure group: DG00874
Product (DG00874): D00791<US> D00793<JP/US> D02163<JP>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivarives
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB02 Fluphenazine
      D00791  Fluphenazine hydrochloride (JAN/USP) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Fluphenazine
    D00791  Fluphenazine hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00874  Fluphenazine
     D00791  Fluphenazine hydrochloride
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00874  Fluphenazine
     D00791  Fluphenazine hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00874  Fluphenazine
    D00791  Fluphenazine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00791  Fluphenazine hydrochloride (JAN/USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00791
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00874  Fluphenazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00874  Fluphenazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00874  Fluphenazine
Other DBs
CAS: 146-56-5
PubChem: 7847856
ChEBI: 5126
LigandBox: D00791
NIKKAJI: J372.684C
LinkDB
KCF data

ATOM        32
            1   C8y C    17.5906  -18.6799
            2   N1y N    18.8104  -17.9762
            3   C8y C    17.5906  -20.0874
            4   C8x C    16.3709  -17.9762
            5   C8y C    20.0771  -18.6799
            6   C1b C    18.8104  -16.5688
            7   S2x S    18.8104  -20.7441
            8   C8x C    16.3709  -20.7441
            9   C8x C    15.1981  -18.6799
            10  C8y C    20.0771  -20.0404
            11  C8x C    21.2969  -17.9762
            12  C1b C    20.0771  -15.8651
            13  C8x C    15.1981  -20.0404
            14  C8x C    21.2969  -20.7441
            15  C8y C    22.5166  -18.7269
            16  C1b C    20.0771  -14.4106
            17  C8x C    22.5166  -20.0404
            18  N1y N    21.2969  -13.7069
            19  C1x C    21.2969  -12.3464
            20  C1x C    22.4697  -14.4106
            21  C1x C    22.5166  -11.6427
            22  C1x C    23.7363  -13.7069
            23  N1y N    23.7363  -12.3464
            24  C1b C    25.0031  -11.6896
            25  C1d C    23.7377  -18.0443
            26  X   F    24.9535  -17.3633
            27  X   F    24.4615  -19.2609
            28  X   F    23.0559  -16.8714
            29  C1b C    26.2106  -12.4238
            30  O1a O    27.4410  -11.7503
            31  X   Cl   29.1469  -18.8393
            32  X   Cl   29.1469  -18.8393
BOND        33
            1    18  19 1
            2    18  20 1
            3    19  21 1
            4    20  22 1
            5    21  23 1
            6    23  24 1
            7     7  10 1
            8     9  13 1
            9    15  17 1
            10   22  23 1
            11    1   2 1
            12    1   3 2
            13    1   4 1
            14    2   5 1
            15    2   6 1
            16    3   7 1
            17    3   8 1
            18    4   9 2
            19    5  10 2
            20    5  11 1
            21    6  12 1
            22    8  13 2
            23   10  14 1
            24   11  15 2
            25   12  16 1
            26   14  17 2
            27   16  18 1
            28   15  25 1
            29   25  26 1
            30   25  27 1
            31   25  28 1
            32   24  29 1
            33   29  30 1
BRACKET     1    27.6500  -19.5300   27.6500  -17.6400
            1    29.9600  -17.6400   29.9600  -19.5300
            1  2
 ORIGINAL  1   31
 REPEAT    1   32

» Japanese version   » Back

KEGG   DRUG: Fluphenazine enanthate
Entry
D00792                      Drug                                   
Name
Fluphenazine enanthate (JP18/USP);
Prolixin enanthate (TN)
Formula
C29H38F3N3O2S
Exact mass
549.2637
Mol weight
549.6911
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C07955
ATC code: N05AB02
Chemical structure group: DG00874
Product (DG00874): D00791<US> D00793<JP/US> D02163<JP>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Active form of prodrug: Fluphenazine [DR:D07977]
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB02 Fluphenazine
      D00792  Fluphenazine enanthate (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00874  Fluphenazine
     D00792  Fluphenazine enanthate
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00874  Fluphenazine
     D00792  Fluphenazine enanthate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00874  Fluphenazine
    D00792  Fluphenazine enanthate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00792  Fluphenazine enanthate (JP18/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00792  Fluphenazine enanthate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00792
Prodrugs [br08324.html]
 D00792
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00874  Fluphenazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00874  Fluphenazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00874  Fluphenazine
Other DBs
CAS: 2746-81-8
PubChem: 7847857
ChEBI: 5125
LigandBox: D00792
NIKKAJI: J7.903K
LinkDB
KCF data

ATOM        38
            1   C8y C    13.8600  -17.5000
            2   C8y C    13.8600  -18.9000
            3   S2x S    15.0500  -19.6000
            4   C8y C    16.3100  -18.9000
            5   C8y C    16.3100  -17.5000
            6   N1y N    15.0500  -16.8000
            7   C8x C    17.5000  -19.6000
            8   C8x C    18.6900  -18.9000
            9   C8y C    18.6900  -17.5000
            10  C8x C    17.5000  -16.8000
            11  C8x C    12.6700  -16.8000
            12  C8x C    11.4100  -17.5000
            13  C8x C    11.4100  -18.9000
            14  C8x C    12.6700  -19.6000
            15  C1d C    19.8800  -16.8000
            16  X   F    21.0700  -16.1000
            17  X   F    20.5800  -17.9900
            18  X   F    19.1800  -15.6100
            19  C1b C    15.0500  -15.4000
            20  C1b C    16.2400  -14.7000
            21  C1b C    16.2400  -13.3000
            22  N1y N    17.4300  -12.6000
            23  C1x C    18.6900  -13.2300
            24  C1x C    19.8800  -12.5300
            25  N1y N    19.8800  -11.1300
            26  C1x C    18.6200  -10.4300
            27  C1x C    17.4300  -11.2000
            28  C1b C    21.1400  -10.4300
            29  C1b C    22.3300  -11.0600
            30  O7a O    23.5200  -10.3600
            31  C7a C    24.7800  -10.9900
            32  C1b C    25.9700  -10.2200
            33  O6a O    24.7800  -12.3900
            34  C1b C    27.2300  -10.9200
            35  C1b C    28.3500  -10.1500
            36  C1b C    29.6100  -10.7800
            37  C1b C    30.8000  -10.0100
            38  C1a C    32.0600  -10.7100
BOND        41
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    2  14 1
            17    9  15 1
            18   15  16 1
            19   15  17 1
            20   15  18 1
            21    6  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   25  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   31  33 2
            37   32  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1

» Japanese version   » Back

KEGG   DRUG: Fluphenazine decanoate
Entry
D00793                      Drug                                   
Name
Fluphenazine decanoate (JAN/USP);
Prolixin decanoate (TN)
Product
  Generic
FLUPHENAZINE DECANOATE (Eugia US LLC), FLUPHENAZINE DECANOATE (Fresenius Kabi USA), FLUPHENAZINE DECANOATE (Gland Pharma Limited), FLUPHENAZINE DECANOATE (Hikma Pharmaceuticals USA), FLUPHENAZINE DECANOATE (Mylan Institutional LLC), FLUPHENAZINE DECANOATE (Novadoz Pharmaceuticals LLC), FLUPHENAZINE DECANOATE (Par Pharmaceutical), FLUPHENAZINE DECANOATE (Par Pharmaceutical), FLUPHENAZINE DECANOATE (Sagent Pharmaceuticals)
Formula
C32H44F3N3O2S
Exact mass
591.3106
Mol weight
591.7709
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C07956
Therapeutic category: 1172
ATC code: N05AB02
Chemical structure group: DG00874
Product (DG00874): D00791<US> D00793<JP/US> D02163<JP>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
  Disease
Schizophrenics [DS:H01649]
Comment
Phenothiazine derivative
Active form of prodrug: Fluphenazine [DR:D07977]
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB02 Fluphenazine
      D00793  Fluphenazine decanoate (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Fluphenazine
    D00793  Fluphenazine decanoate (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1172  Phenothiazines
     D00793  Fluphenazine decanoate (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00874  Fluphenazine
     D00793  Fluphenazine decanoate
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00874  Fluphenazine
     D00793  Fluphenazine decanoate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00874  Fluphenazine
    D00793  Fluphenazine decanoate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00793  Fluphenazine decanoate (JAN/USP) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00793
Prodrugs [br08324.html]
 D00793
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00874  Fluphenazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00874  Fluphenazine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00874  Fluphenazine
Other DBs
CAS: 5002-47-1
PubChem: 7847858
ChEBI: 5124
LigandBox: D00793
NIKKAJI: J13.702B
LinkDB
KCF data

ATOM        41
            1   C8y C    21.6455  -18.0808
            2   N1y N    22.8369  -17.3800
            3   C8y C    21.6455  -19.4824
            4   C8x C    20.4542  -17.3800
            5   C8y C    24.0983  -18.0808
            6   S2x S    22.8369  -20.1833
            7   C8x C    20.4542  -20.1833
            8   C8x C    19.1927  -18.0808
            9   C8y C    24.0983  -19.4824
            10  C8x C    25.2897  -17.3800
            11  C8x C    19.1927  -19.4824
            12  C8x C    25.2897  -20.1833
            13  C8y C    26.4811  -18.0808
            14  C8x C    26.4811  -19.4824
            15  C1d C    27.6724  -17.3800
            16  X   F    28.8638  -16.6792
            17  X   F    26.9716  -16.1887
            18  X   F    28.3733  -18.5714
            19  C1b C    22.8369  -15.9784
            20  C1b C    24.0283  -15.2776
            21  C1b C    24.0283  -13.8760
            22  N1y N    25.2196  -13.1752
            23  C1x C    25.2196  -11.7736
            24  C1x C    26.4110  -13.8760
            25  C1x C    26.4110  -11.0728
            26  C1x C    27.6724  -13.1752
            27  N1y N    27.6724  -11.7736
            28  C1b C    28.8638  -11.0728
            29  C1b C    30.0552  -11.7736
            30  O7a O    31.2466  -11.0728
            31  C7a C    32.5080  -11.7736
            32  C1b C    33.6994  -11.0728
            33  O6a O    32.5080  -13.1752
            34  C1b C    35.0307  -11.7736
            35  C1a C    36.3622  -11.0728
            36  C1b C    33.6994  -11.0728
            37  C1b C    35.0307  -11.7736
            38  C1b C    33.6994  -11.0728
            39  C1b C    35.0307  -11.7736
            40  C1b C    33.6994  -11.0728
            41  C1b C    35.0307  -11.7736
BOND        44
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 2
            13   12  14 2
            14    6   9 1
            15    8  11 1
            16   13  14 1
            17   13  15 1
            18   15  16 1
            19   15  17 1
            20   15  18 1
            21    2  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 1
            27   23  25 1
            28   24  26 1
            29   25  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  33 2
            35   26  27 1
            36   31  32 1
            37   32  34 1
            38   34  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  35 1
BRACKET     1    33.3900  -12.4600   33.3900  -10.7800
            1    35.0700  -10.7800   35.0700  -12.4600
            1  4
 ORIGINAL  1   32  34
 REPEAT    1   36  37  38  39  40  41

» Japanese version   » Back

KEGG   DRUG: Loxapine succinate
Entry
D00794                      Drug                                   
Name
Loxapine succinate (USP);
Loxitane (TN)
Product
  Generic
LOXAPINE (Actavis Pharma), LOXAPINE (Burel Pharmaceuticals), LOXAPINE (Chartwell RX), LOXAPINE (Elite Laboratories), LOXAPINE (Lannett Company), LOXAPINE (Proficient Rx LP), LOXAPINE (REMEDYREPACK), LOXAPINE (REMEDYREPACK), LOXAPINE (REMEDYREPACK), LOXAPINE (REMEDYREPACK), LOXAPINE (REMEDYREPACK), LOXAPINE (REMEDYREPACK)
Formula
C18H18ClN3O. C4H6O4
Exact mass
445.1404
Mol weight
445.8961
Structure
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: N05AH01
Chemical structure group: DG00897
Product (DG00897): D02340<US> D00794<US>
Efficacy
Minor tranquilizer, Dopamine D2 receptor antagonist, Serotonin receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Target
DRD2 [HSA:1813] [KO:K04145]
HTR2A [HSA:3356] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines, thiazepines and oxepines
     N05AH01 Loxapine
      D00794  Loxapine succinate (USP) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Loxapine
    D00794  Loxapine succinate (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00897  Loxapine
     D00794  Loxapine succinate
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00897  Loxapine
    D00794  Loxapine succinate
  DG01644  CYP2D6 substrate
   DG00897  Loxapine
    D00794  Loxapine succinate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00897  Loxapine
     D00794  Loxapine succinate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00794  Loxapine succinate (USP) <US>
   Serotonin
    HTR2A
     D00794  Loxapine succinate (USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00794
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00897  Loxapine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00897  Loxapine
  DG01644  CYP2D6 substrate
   DG00897  Loxapine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00897  Loxapine
Other DBs
CAS: 27833-64-3
PubChem: 7847859
ChEBI: 6549
LigandBox: D00794
NIKKAJI: J262.621G
LinkDB
KCF data

ATOM        31
            1   C6a C    38.6351  -18.6142
            2   C1b C    37.4213  -19.3202
            3   O6a O    39.8548  -19.3202
            4   O6a O    38.6351  -17.2194
            5   C1b C    36.2133  -18.6200
            6   C6a C    35.0053  -19.3260
            7   O6a O    33.7914  -18.6259
            8   O6a O    35.0053  -20.7208
            9   C2y C    28.7700  -17.5000
            10  C8y C    27.9300  -16.3800
            11  C8y C    28.2800  -15.0500
            12  O2x O    29.5400  -14.4900
            13  N2x N    30.1700  -17.5000
            14  C8y C    30.8000  -15.1200
            15  C8y C    31.0800  -16.4500
            16  C8x C    27.2300  -14.0700
            17  C8x C    25.9000  -14.4900
            18  C8y C    25.5500  -15.8200
            19  C8x C    26.6000  -16.8000
            20  C8x C    32.4100  -16.8700
            21  C8x C    33.4600  -15.9600
            22  C8x C    33.1800  -14.5600
            23  C8x C    31.8500  -14.1400
            24  X   Cl   24.2200  -16.2400
            25  N1y N    28.1400  -18.7600
            26  C1x C    26.7400  -18.7600
            27  C1x C    26.0400  -19.9500
            28  N1y N    26.7400  -21.2100
            29  C1x C    28.1400  -21.2100
            30  C1x C    28.8400  -19.9500
            31  C1a C    26.0400  -22.4000
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  12 1
            9     9  13 2
            10   12  14 1
            11   10  11 1
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   11  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   10  19 2
            20   15  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   14  23 2
            25   18  24 1
            26    9  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   25  30 1
            33   28  31 1

» Japanese version   » Back

KEGG   DRUG: Molindone hydrochloride
Entry
D00796                      Drug                                   
Name
Molindone hydrochloride (USP);
Moban (TN)
Product
  Generic
MOLINDONE HYDROCHLORIDE (EPIC PHARMA)
Formula
C16H24N2O2. HCl
Exact mass
312.1605
Mol weight
312.8349
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
ATC code: N05AE02
Chemical structure group: DG00891
Product (DG00891): D00796<US>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07028  Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AE Indole derivatives
     N05AE02 Molindone
      D00796  Molindone hydrochloride (USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00891  Molindone
     D00796  Molindone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00796  Molindone hydrochloride (USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00891  Molindone
Other DBs
CAS: 15622-65-8
PubChem: 7847861
ChEBI: 6966
LigandBox: D00796
NIKKAJI: J327.476D
LinkDB
KCF data

ATOM        21
            1   C8y C    30.2509  -16.4436
            2   C8y C    30.2509  -15.0378
            3   C8y C    28.9091  -16.8754
            4   C5x C    31.4699  -17.1495
            5   N4x N    28.9150  -14.6060
            6   C1x C    31.4699  -14.3436
            7   C8y C    28.0865  -15.7378
            8   C1b C    28.2033  -18.0828
            9   C1y C    32.6775  -16.4436
            10  O5x O    31.5225  -18.5553
            11  C1x C    32.6775  -15.0435
            12  C1a C    26.6808  -15.7261
            13  C1a C    26.8442  -18.4386
            14  C1b C    33.8850  -17.1436
            15  N1y N    35.0868  -16.4379
            16  C1x C    36.2943  -17.1319
            17  C1x C    35.0809  -15.0435
            18  C1x C    37.5018  -16.4262
            19  C1x C    36.2826  -14.3436
            20  O2x O    37.4959  -15.0378
            21  X   Cl   40.6517  -15.7204
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    5   7 1
            21    9  11 1
            22   19  20 1

» Japanese version   » Back

KEGG   DRUG: Promazine hydrochloride
Entry
D00797                      Drug                                   
Name
Promazine hydrochloride (USP);
Sparine (TN)
Formula
C17H20N2S. HCl
Exact mass
320.1114
Mol weight
320.88
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AA03
Chemical structure group: DG00869
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AA Phenothiazines with aliphatic side-chain
     N05AA03 Promazine
      D00797  Promazine hydrochloride (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00869  Promazine
     D00797  Promazine hydrochloride
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00869  Promazine
     D00797  Promazine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00797  Promazine hydrochloride (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00869  Promazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00869  Promazine
Other DBs
CAS: 53-60-1
PubChem: 7847862
ChEBI: 8460
LigandBox: D00797
NIKKAJI: J231.247F
LinkDB
KCF data

ATOM        21
            1   X   Cl   36.9353  -17.9239
            2   C8x C    26.7400  -17.2200
            3   C8x C    26.7400  -18.6200
            4   C8x C    27.9524  -19.3200
            5   C8y C    29.1649  -18.6200
            6   C8y C    29.1649  -17.2200
            7   C8x C    27.9524  -16.5200
            8   S2x S    30.3773  -19.3200
            9   C8y C    31.5897  -18.6200
            10  C8y C    31.5897  -17.2200
            11  N4y N    30.3773  -16.5200
            12  C8x C    32.8022  -19.3200
            13  C8x C    34.0146  -18.6200
            14  C8x C    34.0146  -17.2200
            15  C8x C    32.8022  -16.5200
            16  C1b C    30.3773  -15.1200
            17  C1b C    31.5918  -14.4188
            18  C1b C    32.7883  -15.1098
            19  N1c N    33.9751  -14.4246
            20  C1a C    35.1666  -15.1128
            21  C1a C    33.9753  -13.0202
BOND        22
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17   11  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   19  21 1

» Japanese version   » Back

KEGG   DRUG: Thioridazine hydrochloride
Entry
D00798                      Drug                                   
Name
Thioridazine hydrochloride (JP18/USP);
Mellaril (TN)
Product
  Generic
THIORIDAZINE HYDROCHLORIDE (Mylan Institutional), THIORIDAZINE HYDROCHLORIDE (Mylan Pharmaceuticals), THIORIDAZINE HYDROCHLORIDE (Sun Pharmaceutical Industries)
Formula
C21H26N2S2. HCl
Exact mass
406.1304
Mol weight
407.0355
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AC02
Chemical structure group: DG00882
Product (DG00882): D00798<US>
Efficacy
Antipsychotic, Sedative-hypnotic, Dopamine D2 receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AC Phenothiazines with piperidine structure
     N05AC02 Thioridazine
      D00798  Thioridazine hydrochloride (JP18/USP) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Thioridazine
    D00798  Thioridazine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00882  Thioridazine
     D00798  Thioridazine hydrochloride
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00882  Thioridazine
     D00798  Thioridazine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00798  Thioridazine hydrochloride (JP18/USP) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00798  Thioridazine hydrochloride
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00798
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00882  Thioridazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00882  Thioridazine
Other DBs
CAS: 130-61-0
PubChem: 7847863
ChEBI: 48566
LigandBox: D00798
NIKKAJI: J237.878G
LinkDB
KCF data

ATOM        26
            1   N1y N    23.5960  -17.9088
            2   C8y C    22.3761  -18.6092
            3   C8y C    24.8099  -18.6209
            4   C1b C    23.5901  -16.5080
            5   C8y C    22.3702  -20.0158
            6   C8x C    21.1679  -17.9029
            7   C8y C    24.7982  -20.0215
            8   C8x C    26.0298  -17.9262
            9   C1b C    24.8042  -15.8133
            10  S2x S    23.5843  -20.7162
            11  C8x C    21.1679  -20.7103
            12  C8x C    19.9480  -18.6092
            13  C8x C    26.0064  -20.7279
            14  C8y C    27.2322  -18.6442
            15  C1y C    24.8042  -14.4127
            16  C8x C    19.9480  -20.0158
            17  C8x C    27.2146  -20.0449
            18  N1y N    26.0181  -13.7123
            19  C1x C    23.5960  -13.7123
            20  C1x C    26.0181  -12.3172
            21  C1a C    27.2146  -14.4127
            22  C1x C    23.5960  -12.3172
            23  C1x C    24.8042  -11.6227
            24  S2a S    28.4627  -17.9562
            25  C1a C    29.7005  -18.6933
            26  X   Cl   33.2288  -18.0699
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    7  10 1
            24   12  16 1
            25   14  17 1
            26   22  23 1
            27   14  24 1
            28   24  25 1

» Japanese version   » Back

KEGG   DRUG: Trifluoperazine hydrochloride
Entry
D00799                      Drug                                   
Name
Trifluoperazine hydrochloride (JAN/USP);
Stelazine (TN)
Product
  Generic
TRIFLUOPERAZINE HYDROCHLORIDE (Bryant Ranch Prepack), TRIFLUOPERAZINE HYDROCHLORIDE (Bryant Ranch Prepack), TRIFLUOPERAZINE HYDROCHLORIDE (Bryant Ranch Prepack), TRIFLUOPERAZINE HYDROCHLORIDE (Bryant Ranch Prepack), TRIFLUOPERAZINE HYDROCHLORIDE (Mylan Institutional), TRIFLUOPERAZINE HYDROCHLORIDE (Mylan Pharmaceuticals), TRIFLUOPERAZINE HYDROCHLORIDE (REMEDYREPACK), TRIFLUOPERAZINE HYDROCHLORIDE (REMEDYREPACK), TRIFLUOPERAZINE HYDROCHLORIDE (Sandoz)
Formula
C21H24F3N3S. 2HCl
Exact mass
479.1177
Mol weight
480.4175
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AB06
Chemical structure group: DG00877
Product (DG00877): D00799<US>
Efficacy
Antipsychotic, Sedative-hypnotic, Dopamine D2 receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB06 Trifluoperazine
      D00799  Trifluoperazine hydrochloride (JAN/USP) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Trifluoperazine
    D00799  Trifluoperazine hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00877  Trifluoperazine
     D00799  Trifluoperazine hydrochloride
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00877  Trifluoperazine
     D00799  Trifluoperazine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00799  Trifluoperazine hydrochloride (JAN/USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00877  Trifluoperazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00877  Trifluoperazine
Other DBs
CAS: 440-17-5
PubChem: 7847864
ChEBI: 9710
LigandBox: D00799
NIKKAJI: J371.962F
LinkDB
KCF data

ATOM        30
            1   C8y C    20.9546  -18.6482
            2   N1y N    22.1730  -17.9486
            3   C8y C    20.9487  -20.0474
            4   C8x C    19.7478  -17.9427
            5   C8y C    23.3855  -18.6540
            6   C1b C    22.1730  -16.5437
            7   S2x S    22.1613  -20.7527
            8   C8x C    19.7478  -20.7470
            9   C8x C    18.5294  -18.6482
            10  C8y C    23.3739  -20.0531
            11  C8x C    24.5980  -17.9661
            12  C1b C    23.3798  -15.8499
            13  C8x C    18.5294  -20.0474
            14  C8x C    24.5749  -20.7586
            15  C8y C    25.8048  -18.6773
            16  C1b C    23.3798  -14.4567
            17  C8x C    25.8631  -20.0765
            18  N1y N    24.5865  -13.7512
            19  C1x C    25.7991  -14.4507
            20  C1x C    24.5865  -12.3520
            21  C1x C    27.0116  -13.7454
            22  C1x C    25.7991  -11.6526
            23  N1y N    27.0116  -12.3463
            24  C1a C    28.2243  -11.6409
            25  C1d C    27.0183  -17.9497
            26  X   F    28.2100  -17.2200
            27  X   F    27.7200  -19.1100
            28  X   F    26.3200  -16.7300
            29  X   Cl   31.6716  -18.2170
            30  X   Cl   31.6716  -18.2170
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 2
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   14  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   23  24 1
            24    7  10 1
            25    9  13 1
            26   15  17 1
            27   22  23 1
            28   15  25 1
            29   25  26 1
            30   25  27 1
            31   25  28 1
BRACKET     1    30.2400  -18.9000   30.2400  -17.2200
            1    32.2700  -17.2200   32.2700  -18.9000
            1  2
 ORIGINAL  1   29
 REPEAT    1   30

» Japanese version   » Back

KEGG   DRUG: Triflupromazine hydrochloride
Entry
D00800                      Drug                                   
Name
Triflupromazine hydrochloride (JAN/USP);
Vesprin (TN)
Formula
C18H19F3N2S. HCl
Exact mass
388.0988
Mol weight
388.878
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AA05
Chemical structure group: DG00871
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AA Phenothiazines with aliphatic side-chain
     N05AA05 Triflupromazine
      D00800  Triflupromazine hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00871  Triflupromazine
     D00800  Triflupromazine hydrochloride
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00871  Triflupromazine
     D00800  Triflupromazine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00800  Triflupromazine hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00871  Triflupromazine
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    DG00871  Triflupromazine
Other DBs
CAS: 1098-60-8
PubChem: 7847865
ChEBI: 9712
LigandBox: D00800
NIKKAJI: J349.680E
LinkDB
KCF data

ATOM        25
            1   C8y C    21.4320  -18.2638
            2   N1y N    22.6508  -17.5641
            3   C8y C    21.4380  -19.6633
            4   C8x C    20.2250  -17.5641
            5   C8y C    23.8578  -18.2581
            6   C1b C    22.7149  -16.1646
            7   S2x S    22.6508  -20.3688
            8   C8x C    20.2250  -20.3688
            9   C8x C    19.0063  -18.2638
            10  C8y C    23.8519  -19.6576
            11  C8x C    25.0706  -17.5700
            12  C1b C    23.9219  -15.4591
            13  C8x C    19.0063  -19.6633
            14  C8x C    25.0590  -20.3631
            15  C8y C    26.2777  -18.2698
            16  C1b C    23.9219  -14.0655
            17  C8x C    26.2720  -19.6693
            18  N1c N    25.1349  -13.3658
            19  C1a C    25.1349  -11.9720
            20  C1a C    26.3477  -14.0655
            21  C1d C    27.4711  -17.5852
            22  X   F    28.6300  -16.8700
            23  X   F    28.1400  -18.7600
            24  X   F    26.7400  -16.3800
            25  X   Cl   32.6939  -18.1477
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 2
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   14  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20    7  10 1
            21    9  13 1
            22   15  17 1
            23   15  21 1
            24   21  22 1
            25   21  23 1
            26   21  24 1

» Japanese version   » Back

KEGG   DRUG: Flupentixol
Entry
D01044                      Drug                                   
Name
Flupentixol (INN);
Flupenthixol;
Depixol (TN)
Formula
C23H25F3N2OS
Exact mass
434.164
Mol weight
434.5176
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
Remark
ATC code: N05AF01
Chemical structure group: DG00893
Efficacy
Antipsychotic, Dopamine receptor antagonist
Comment
Thioxanthene derivative
Target
DRD1 [HSA:1812] [KO:K04144]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07028  Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AF Thioxanthene derivatives
     N05AF01 Flupentixol
      D01044  Flupentixol (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00893  Flupentixol
    D01044  Flupentixol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D01044  Flupentixol (INN)
    DRD2
     D01044  Flupentixol (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00893  Flupentixol
Other DBs
CAS: 2709-56-0
PubChem: 7848107
ChEBI: 5121
LigandBox: D01044
NIKKAJI: J9.515J
LinkDB
KCF data

ATOM        30
            1   C8x C    14.5600  -19.8100
            2   C8x C    14.5600  -21.2100
            3   C8x C    15.8200  -21.9100
            4   C8x C    15.8200  -19.1100
            5   C8y C    16.9400  -19.8100
            6   C8y C    16.9400  -21.2100
            7   S2x S    18.2000  -21.9100
            8   C8y C    18.2000  -19.1100
            9   C8y C    19.3900  -19.8100
            10  C8y C    19.3900  -21.2100
            11  C8x C    20.5800  -21.9100
            12  C8x C    21.8400  -21.2100
            13  C8y C    21.8400  -19.8100
            14  C8x C    20.5800  -19.1100
            15  C2b C    18.2000  -17.7100
            16  C1b C    19.4129  -17.0107
            17  C1b C    19.4129  -15.6107
            18  N1y N    20.6083  -14.9203
            19  C1x C    21.7951  -15.6054
            20  C1x C    23.0075  -14.9054
            21  N1y N    23.0074  -13.5054
            22  C1x C    21.8207  -12.8203
            23  C1x C    20.6083  -13.5203
            24  C1b C    24.2424  -12.8100
            25  C1b C    25.4549  -13.5100
            26  O1a O    26.6673  -12.8100
            27  C1d C    23.0466  -19.1000
            28  X   F    24.2591  -18.4000
            29  X   F    22.3466  -17.8876
            30  X   F    23.7466  -20.3125
BOND        33
            1     8   5 1
            2     1   2 1
            3     2   3 2
            4     3   6 1
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13  14 2
            10   14   9 1
            11    5   4 1
            12    8  15 2
            13    4   1 2
            14    5   6 2
            15    6   7 1
            16    7  10 1
            17    9   8 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   13  27 1
            31   27  28 1
            32   27  29 1
            33   27  30 1

» Japanese version   » Back

KEGG   DRUG: Spiperone
Entry
D01051                      Drug                                   
Name
Spiperone (JAN/USAN);
Spiropitan (TN)
Formula
C23H26FN3O2
Exact mass
395.2009
Mol weight
395.4698
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Remark
Therapeutic category: 1179
Product: D01051<JP>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
map07213  Dopamine receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D01051  Spiperone (JAN/USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    D01051  Spiperone
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    D01051  Spiperone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01051  Spiperone (JAN/USAN) <JP>
Other DBs
CAS: 749-02-0
PubChem: 7848114
ChEBI: 9233
PDB-CCD: SIP[PDBj]
LigandBox: D01051
NIKKAJI: J3.320K
LinkDB
KCF data

ATOM        29
            1   N1y N    26.8289  -17.2797
            2   N1x N    30.7754  -14.0613
            3   C1x C    31.5060  -15.2542
            4   N1y N    30.5878  -16.3243
            5   C1z C    29.2967  -15.7828
            6   C5x C    29.3413  -14.3917
            7   C1x C    29.3410  -17.2043
            8   C1x C    28.0502  -15.1344
            9   C1x C    28.1362  -17.9562
            10  C1x C    26.7826  -15.8742
            11  C1b C    25.6795  -17.9800
            12  C1b C    24.4742  -17.2770
            13  C1b C    23.2763  -17.9743
            14  C5a C    22.0770  -17.2652
            15  O5a O    22.0581  -15.8696
            16  C8y C    20.8608  -17.9699
            17  C8x C    20.8640  -19.3738
            18  C8x C    19.6478  -20.0787
            19  C8y C    18.4295  -19.3777
            20  C8x C    18.4272  -17.9721
            21  C8x C    19.6434  -17.2674
            22  X   F    17.2132  -20.0824
            23  C8y C    30.9070  -17.6744
            24  C8x C    29.9061  -18.6173
            25  C8x C    30.2294  -19.9858
            26  C8x C    31.5762  -20.3901
            27  C8x C    32.5771  -19.4472
            28  C8x C    32.2538  -18.0787
            29  O5x O    28.2672  -13.5087
BOND        32
            1     7   9 1
            2     8  10 1
            3     9   1 1
            4    10   1 1
            5     2   3 1
            6     3   4 1
            7     4   5 1
            8     5   6 1
            9     6   2 1
            10    5   7 1
            11    5   8 1
            12   14  16 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  16 2
            23   19  22 1
            24   11   1 1
            25    4  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32    6  29 2

» Japanese version   » Back

KEGG   DRUG: Bromperidol
Entry
D01101                      Drug                                   
Name
Bromperidol (JAN/USAN/INN);
Impromen (TN)
Formula
C21H23BrFNO2
Exact mass
419.0896
Mol weight
420.3152
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1179
ATC code: N05AD06
Chemical structure group: DG00890
Product (DG00890): D01101<JP>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD06 Bromperidol
      D01101  Bromperidol (JAN/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D01101  Bromperidol (JAN/USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00890  Bromperidol
     D01101  Bromperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00890  Bromperidol
     D01101  Bromperidol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00890  Bromperidol
     D01101  Bromperidol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01101  Bromperidol (JAN/USAN/INN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01101
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00890  Bromperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00890  Bromperidol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00890  Bromperidol
Other DBs
CAS: 10457-90-6
PubChem: 7848164
ChEBI: 31305
LigandBox: D01101
NIKKAJI: J10.460D
LinkDB
KCF data

ATOM        26
            1   C1b C    19.8100  -17.5700
            2   C1b C    21.0000  -16.8700
            3   C1b C    22.1900  -17.5700
            4   N1y N    23.4500  -16.8700
            5   C1x C    23.4500  -15.4700
            6   C1x C    24.6400  -17.5700
            7   C1x C    24.6400  -14.7700
            8   C1x C    25.8300  -16.8700
            9   C1z C    25.8300  -15.4700
            10  C8y C    27.0200  -14.7700
            11  C8x C    27.0200  -13.4400
            12  C8x C    28.2100  -15.4700
            13  C8x C    28.2100  -12.7400
            14  C8x C    29.4000  -14.7700
            15  C8y C    29.4000  -13.4400
            16  X   Br   30.6600  -12.7400
            17  C5a C    18.5500  -16.8700
            18  C8y C    17.3600  -17.5700
            19  O5a O    18.5500  -15.4000
            20  C8x C    17.3600  -18.9700
            21  C8x C    16.1000  -19.6700
            22  C8y C    14.9100  -18.9700
            23  C8x C    14.9100  -17.5700
            24  C8x C    16.1000  -16.8700
            25  X   F    13.6500  -19.6700
            26  O1a O    27.0424  -16.1700
BOND        28
            1     9  10 1
            2    10  11 1
            3    10  12 2
            4    11  13 2
            5    12  14 1
            6    13  15 1
            7    15  16 1
            8     8   9 1
            9    14  15 2
            10    1  17 1
            11    1   2 1
            12   17  18 1
            13    2   3 1
            14   17  19 2
            15    3   4 1
            16    4   5 1
            17    4   6 1
            18    5   7 1
            19    6   8 1
            20   18  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  18 2
            26    7   9 1
            27   22  25 1
            28    9  26 1

» Japanese version   » Back

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