KEGG   DRUG: Haloperidol
Entry
D00136                      Drug                                   
Name
Haloperidol (JP18/USP/INN);
Haldol (TN)
Product
  Generic
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

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