KEGG   DRUG: Thioproperazine mesilate
Entry
D01447                      Drug                                   

Name
Thioproperazine mesilate (JAN);
Thioproperazine mesylate
Formula
C22H30N4O2S2. (CH4SO3)2
Exact mass
638.1572
Mol weight
638.8405
Structure
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
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
      D01447  Thioproperazine mesilate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01447  Thioproperazine mesilate (JAN)
Other DBs
CAS: 2347-80-0
PubChem: 7848510
ChEBI: 32218
ChEMBL: CHEMBL1481539
LigandBox: D01447
NIKKAJI: J561.942D
LinkDB
KCF data

ATOM        40
            1   S2x S    15.9131  -20.7714
            2   N1y N    15.9131  -17.9714
            3   C8y C    17.1213  -18.6715
            4   C8y C    17.1154  -20.0715
            5   C8x C    18.3248  -20.7765
            6   C8x C    19.5402  -20.0818
            7   C8y C    19.5463  -18.6819
            8   C8x C    18.3369  -17.9768
            9   C8y C    14.6978  -20.0715
            10  C8y C    14.6978  -18.6715
            11  C8x C    13.4856  -17.9714
            12  C8x C    12.2732  -18.6715
            13  C8x C    12.2732  -20.0715
            14  C8x C    13.4856  -20.7714
            15  C1b C    15.9150  -16.5715
            16  C1b C    17.1283  -15.8731
            17  C1b C    17.1300  -14.4024
            18  N1y N    18.3434  -13.7040
            19  C1x C    19.5497  -14.4077
            20  C1x C    20.7630  -13.7094
            21  N1y N    20.7646  -12.3094
            22  C1x C    19.5532  -11.6079
            23  C1x C    18.3400  -12.3064
            24  C1a C    21.9779  -11.6110
            25  S4a S    20.7572  -17.9898
            26  N1c N    21.9668  -18.6953
            27  O1d O    21.7265  -17.0271
            28  O1d O    19.7645  -17.0271
            29  C1a C    23.1945  -17.9936
            30  C1a C    21.9607  -20.0899
            31  S4a S    30.1825  -18.0986
            32  O1d O    30.1896  -16.6986
            33  O1d O    30.1896  -19.4985
            34  C1a C    28.7825  -18.0986
            35  O1d O    31.5824  -18.0986
            36  S4a S    30.1825  -18.0986
            37  O1d O    30.1896  -16.6986
            38  O1d O    30.1896  -19.4985
            39  C1a C    28.7825  -18.0986
            40  O1d O    31.5824  -18.0986
BOND        41
            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
            34   31  32 2
            35   31  33 2
            36   31  34 1
            37   31  35 1
            38   36  37 2
            39   36  38 2
            40   36  39 1
            41   36  40 1
BRACKET     1    26.7400  -20.0200   26.7400  -15.3300
            1    32.9700  -15.3300   32.9700  -20.0200
            1  2
 ORIGINAL  1   31  32  33  34  35
 REPEAT    1   36  37  38  39  40

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KEGG   DRUG: Thioproperazine
Entry
D08585                      Drug                                   

Name
Thioproperazine (INN)
Formula
C22H30N4O2S2
Exact mass
446.181
Mol weight
446.6292
Structure
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
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)
Other DBs
CAS: 316-81-4
PubChem: 96025269
ChEBI: 59120
ChEMBL: CHEMBL609109
DrugBank: DB01622
LigandBox: D08585
NIKKAJI: J5.665K
LinkDB
KCF data

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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