KEGG   DRUG: Chlorprothixene
Entry
D00790                      Drug                                   
Name
Chlorprothixene (JAN/USAN/INN);
Taractan (TN)
Formula
C18H18ClNS
Exact mass
315.0848
Mol weight
315.8602
Structure
Simcomp
Remark
Same as: C07953
ATC code: N05AF03
Chemical structure group: DG00894
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
     N05AF03 Chlorprothixene
      D00790  Chlorprothixene (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D00790  Chlorprothixene (JAN/USAN/INN)
    DRD2
     D00790  Chlorprothixene (JAN/USAN/INN)
Other DBs
CAS: 113-59-7
PubChem: 7847855
ChEBI: 3651 50931
LigandBox: D00790
NIKKAJI: J52.995H
LinkDB
KCF data

ATOM        21
            1   C8x C    22.8268  -17.0417
            2   C8x C    22.8268  -18.4443
            3   C8x C    24.0414  -19.1456
            4   C8y C    25.2562  -18.4443
            5   C8y C    25.2562  -17.0417
            6   C8x C    24.0414  -16.3404
            7   S2x S    26.4709  -19.1456
            8   C8y C    27.6856  -18.4443
            9   C8y C    27.6856  -17.0417
            10  C8y C    26.4709  -16.3404
            11  C8x C    28.9005  -19.1456
            12  C8x C    30.1151  -18.4443
            13  C8y C    30.1151  -17.0417
            14  C8x C    28.9005  -16.3404
            15  C2b C    26.4709  -14.9377
            16  C1b C    27.6877  -14.2352
            17  C1b C    28.8865  -14.9275
            18  N1c N    30.0756  -14.2410
            19  C1a C    31.2693  -14.9305
            20  C1a C    30.0758  -12.8340
            21  X   Cl   31.3339  -16.3381
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 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1

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KEGG   DRUG: Chlorprothixene hydrochloride
Entry
D02162                      Drug                                   
Name
Chlorprothixene hydrochloride (JAN)
Formula
C18H18ClNS. HCl
Exact mass
351.0615
Mol weight
352.3212
Structure
Simcomp
Remark
ATC code: N05AF03
Chemical structure group: DG00894
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
     N05AF03 Chlorprothixene
      D02162  Chlorprothixene hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D02162  Chlorprothixene hydrochloride (JAN)
    DRD2
     D02162  Chlorprothixene hydrochloride (JAN)
Other DBs
CAS: 6469-93-8
PubChem: 7849223
LigandBox: D02162
NIKKAJI: J369.038E
LinkDB
KCF data

ATOM        22
            1   C8x C    22.8269  -17.0418
            2   C8x C    22.8269  -18.4444
            3   C8x C    24.0415  -19.1457
            4   C8y C    25.2563  -18.4444
            5   C8y C    25.2563  -17.0418
            6   C8x C    24.0415  -16.3405
            7   S2x S    26.4710  -19.1457
            8   C8y C    27.6857  -18.4444
            9   C8y C    27.6857  -17.0418
            10  C8y C    26.4710  -16.3405
            11  C8x C    28.9006  -19.1457
            12  C8x C    30.1152  -18.4444
            13  C8y C    30.1152  -17.0418
            14  C8x C    28.9006  -16.3405
            15  C2b C    26.4710  -14.9378
            16  C1b C    27.6878  -14.2353
            17  C1b C    28.8866  -14.9276
            18  N1c N    30.0757  -14.2411
            19  C1a C    31.2694  -14.9306
            20  C1a C    30.0759  -12.8341
            21  X   Cl   31.3340  -16.3382
            22  X   Cl   33.3900  -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 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1

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KEGG   DRUG: Chlorprothixene acetate
Entry
D07686                      Drug                                   
Name
Chlorprothixene acetate;
Truxal (TN)
Formula
C18H18ClNS. C2H4O2
Exact mass
375.106
Mol weight
375.9122
Structure
Simcomp
Remark
ATC code: N05AF03
Chemical structure group: DG00894
Efficacy
Antipsychotic, Neuroleptic, 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
     N05AF03 Chlorprothixene
      D07686  Chlorprothixene acetate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D07686  Chlorprothixene acetate
    DRD2
     D07686  Chlorprothixene acetate
Other DBs
CAS: 58889-16-0
PubChem: 51091987
LigandBox: D07686
LinkDB
KCF data

ATOM        25
            1   C8x C    19.8800  -18.9700
            2   C8x C    19.8800  -20.3700
            3   C8x C    21.0700  -21.1400
            4   C8y C    22.3300  -20.3700
            5   C8y C    22.3300  -18.9700
            6   C8x C    21.0700  -18.2700
            7   S2x S    23.5200  -21.1400
            8   C8y C    24.7800  -20.3700
            9   C8y C    24.7800  -18.9700
            10  C8y C    23.5200  -18.2700
            11  C8x C    25.9700  -21.1400
            12  C8x C    27.1600  -20.3700
            13  C8y C    27.1600  -18.9700
            14  C8x C    25.9700  -18.2700
            15  C2b C    23.5200  -16.8700
            16  C1b C    24.7800  -16.1700
            17  C1b C    25.9700  -16.8700
            18  N1c N    27.1600  -16.1700
            19  C1a C    28.3500  -16.8700
            20  C1a C    27.1600  -14.7700
            21  X   Cl   28.4200  -18.2700
            22  C6a C    33.6700  -19.2500
            23  C1a C    34.8824  -19.9500
            24  O6a O    32.4576  -19.9500
            25  O6a O    33.6700  -17.8500
BOND        26
            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 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1
            24   22  23 1
            25   22  24 1
            26   22  25 2

» Japanese version   » Back

KEGG   DRUG: Chlorprothixene citrate
Entry
D07687                      Drug                                   
Name
Chlorprothixene citrate;
Truxal (TN)
Formula
C18H18ClNS. C6H8O7
Exact mass
507.1119
Mol weight
507.9837
Structure
Remark
ATC code: N05AF03
Chemical structure group: DG00894
Efficacy
Antipsychotic, Neuroleptic, 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
     N05AF03 Chlorprothixene
      D07687  Chlorprothixene citrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D07687  Chlorprothixene citrate
    DRD2
     D07687  Chlorprothixene citrate
Other DBs
CAS: 861959-57-1
PubChem: 51091988
LigandBox: D07687
LinkDB
KCF data

ATOM        34
            1   C8x C     5.0039  -11.0921
            2   C8x C     5.0039  -12.4945
            3   C8x C     6.1959  -13.2658
            4   C8y C     7.4581  -12.4945
            5   C8y C     7.4581  -11.0921
            6   C8x C     6.1959  -10.3909
            7   S2x S     8.6501  -13.2658
            8   C8y C     9.9123  -12.4945
            9   C8y C     9.9123  -11.0921
            10  C8y C     8.6501  -10.3909
            11  C8x C    11.0342  -13.2658
            12  C8x C    12.2262  -12.4945
            13  C8y C    12.2262  -11.0921
            14  C8x C    11.0342  -10.3909
            15  C2b C     8.6501   -8.9886
            16  C1b C     9.9123   -8.2874
            17  C1b C    11.0342   -8.9886
            18  N1c N    12.2262   -8.2874
            19  C1a C    13.4182   -8.9886
            20  C1a C    12.2262   -6.9551
            21  X   Cl   13.4883  -10.3909
            22  C1d C    20.2300   -9.8700
            23  C1b C    19.0400  -10.5700
            24  C1b C    21.4200  -10.5700
            25  C6a C    20.9300   -8.6800
            26  O1a O    19.5300   -8.6800
            27  C6a C    17.8500   -9.9400
            28  C6a C    21.4200  -11.9700
            29  O6a O    20.2300   -7.4900
            30  O6a O    22.3300   -8.6800
            31  O6a O    16.5900  -10.6400
            32  O6a O    17.8500   -8.5400
            33  O6a O    22.6800  -12.6700
            34  O6a O    20.2300  -12.6700
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 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 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1
            24   22  23 1
            25   22  24 1
            26   22  25 1
            27   22  26 1
            28   23  27 1
            29   24  28 1
            30   25  29 1
            31   25  30 2
            32   27  31 1
            33   27  32 2
            34   28  33 1
            35   28  34 2

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