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
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00373  Thioridazine (USP/INN)
Other DBs
CAS: 50-52-2
PubChem: 7847439
ChEBI: 9566
ChEMBL: CHEMBL479
DrugBank: DB00679
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: Thioridazine hydrochloride
Entry
D00798                      Drug                                   

Name
Thioridazine hydrochloride (JP18/USP);
Mellaril (TN)
Product
  Generic
Formula
C21H26N2S2. HCl
Exact mass
406.1304
Mol weight
407.0355
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
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)
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
Other DBs
CAS: 130-61-0
PubChem: 7847863
ChEBI: 48566
ChEMBL: CHEMBL1200916
DrugBank: DB00679
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

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