KEGG   DRUG: ThioproperazineHelp
Entry
D08585                      Drug                                   

Name
Thioproperazine (INN)
Formula
C22H30N4O2S2
Exact mass
446.181
Mol weight
446.6292
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
ATC code: N05AB08
Chemical structure group: DG00879
Efficacy
Antipsychotic, Neuroleptic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug 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
     N05AB08 Thioproperazine
      D08585  Thioproperazine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08585  Thioproperazine (INN)
BRITE hierarchy
Other DBs
CAS: 316-81-4
PubChem: 96025269
ChEBI: 59120
ChEMBL: CHEMBL609109
DrugBank: DB01622
LigandBox: D08585
NIKKAJI: J5.665K
LinkDB All DBs
KCF data Show

ATOM        30
            1   S2x S    22.3300  -22.5400
            2   N1y N    22.3300  -19.7400
            3   C8y C    23.5900  -20.4400
            4   C8y C    23.5900  -21.8400
            5   C8x C    24.7800  -22.5400
            6   C8x C    25.9700  -21.8400
            7   C8y C    25.9700  -20.4400
            8   C8x C    24.7800  -19.7400
            9   C8y C    21.1400  -21.8400
            10  C8y C    21.1400  -20.4400
            11  C8x C    19.9500  -19.7400
            12  C8x C    18.6900  -20.4400
            13  C8x C    18.6900  -21.8400
            14  C8x C    19.9500  -22.5400
            15  C1b C    22.3300  -18.3400
            16  C1b C    23.5900  -17.6400
            17  C1b C    23.5900  -16.1700
            18  N1y N    24.7800  -15.4700
            19  C1x C    25.9700  -16.1700
            20  C1x C    27.2300  -15.4700
            21  N1y N    27.2300  -14.0700
            22  C1x C    25.9700  -13.3700
            23  C1x C    24.7800  -14.0700
            24  C1a C    28.4200  -13.3700
            25  S4a S    27.2300  -19.7400
            26  N1c N    28.4200  -20.4400
            27  O3c O    28.1400  -18.7600
            28  O3c O    26.1800  -18.7600
            29  C1a C    29.6100  -19.7400
            30  C1a C    28.4200  -21.8400
BOND        33
            1    17  18 1
            2     6   7 1
            3     7   8 2
            4     8   3 1
            5     2  10 1
            6    18  19 1
            7    19  20 1
            8    20  21 1
            9    21  22 1
            10   22  23 1
            11   23  18 1
            12   21  24 1
            13    9   1 1
            14    1   4 1
            15    9  10 2
            16   10  11 1
            17   11  12 2
            18   12  13 1
            19   13  14 2
            20   14   9 1
            21    3   2 1
            22    2  15 1
            23    3   4 2
            24   15  16 1
            25    4   5 1
            26   16  17 1
            27    5   6 2
            28    7  25 1
            29   25  26 1
            30   25  27 2
            31   25  28 2
            32   26  29 1
            33   26  30 1

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