KEGG   DRUG: Clopenthixol
Entry
D02613                      Drug                                   
Name
Clopenthixol (USAN)
Formula
C22H25ClN2OS
Exact mass
400.1376
Mol weight
400.9647
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
Remark
ATC code: N05AF02
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
     N05AF02 Clopenthixol
      D02613  Clopenthixol (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   D02613  Clopenthixol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D02613  Clopenthixol (USAN)
    DRD2
     D02613  Clopenthixol (USAN)
Other DBs
CAS: 982-24-1
PubChem: 17396783
ChEBI: 59115
LigandBox: D02613
NIKKAJI: J9.475G
LinkDB
KCF data

ATOM        27
            1   C8x C    11.0067  -21.8635
            2   C8x C    11.0067  -23.2652
            3   C8x C    12.2683  -23.9661
            4   C8x C    12.2683  -21.1627
            5   C8y C    13.3896  -21.8635
            6   C8y C    13.3896  -23.2652
            7   S2x S    14.6510  -23.9661
            8   C8y C    14.6510  -21.1627
            9   C8y C    15.8425  -21.8635
            10  C8y C    15.8425  -23.2652
            11  C8x C    17.0338  -23.9661
            12  C8x C    18.2953  -23.2652
            13  C8y C    18.2953  -21.8635
            14  C8x C    17.0338  -21.1627
            15  C2b C    14.6510  -19.7611
            16  C1b C    15.8654  -19.0609
            17  C1b C    15.8654  -17.6593
            18  N1y N    17.0622  -16.9681
            19  C1x C    18.2503  -17.6540
            20  C1x C    19.4642  -16.9532
            21  N1y N    19.4641  -15.5515
            22  C1x C    18.2760  -14.8656
            23  C1x C    17.0622  -15.5664
            24  C1b C    20.7006  -14.8553
            25  C1b C    21.9144  -15.5561
            26  O1a O    23.1283  -14.8553
            27  X   Cl   19.5034  -21.1527
BOND        30
            1     8   5 1
            2     1   2 1
            3     2   3 2
            4     3   6 1
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13  14 2
            10   14   9 1
            11    5   4 1
            12    8  15 2
            13    4   1 2
            14    5   6 2
            15    6   7 1
            16    7  10 1
            17    9   8 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   13  27 1

» Japanese version   » Back

KEGG   DRUG: Zuclopenthixol
Entry
D03556                      Drug                                   
Name
Zuclopenthixol (INN);
Clopixol (TN)
Formula
C22H25ClN2OS
Exact mass
400.1376
Mol weight
400.9647
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N05AF05
Chemical structure group: DG00896
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
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07028  Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AF Thioxanthene derivatives
     N05AF05 Zuclopenthixol
      D03556  Zuclopenthixol (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00896  Zuclopenthixol
    D03556  Zuclopenthixol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00896  Zuclopenthixol
    D03556  Zuclopenthixol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D03556  Zuclopenthixol (INN)
    DRD2
     D03556  Zuclopenthixol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03556
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG00896  Zuclopenthixol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00896  Zuclopenthixol
Other DBs
CAS: 53772-83-1
PubChem: 17397676
ChEBI: 51364
LigandBox: D03556
NIKKAJI: J32.497C
LinkDB
KCF data

ATOM        27
            1   C8x C    12.9655  -16.6834
            2   C8x C    12.9655  -18.0852
            3   C8x C    14.1794  -18.7860
            4   C8y C    15.3934  -18.0852
            5   C8y C    15.3934  -16.6834
            6   C8x C    14.1794  -15.9826
            7   S2x S    16.6073  -18.7860
            8   C8y C    17.8212  -18.0852
            9   C8y C    17.8212  -16.6834
            10  C8y C    16.6073  -15.9826
            11  C8x C    19.0352  -18.7860
            12  C8x C    20.2491  -18.0852
            13  C8y C    20.2491  -16.6834
            14  C8x C    19.0352  -15.9826
            15  C2b C    16.6073  -14.5808
            16  C1b C    17.8233  -13.8788
            17  C1b C    17.8233  -12.4770
            18  N1y N    19.0202  -11.7858
            19  C1x C    20.2100  -12.4727
            20  C1x C    21.4239  -11.7719
            21  N1y N    21.4239  -10.3701
            22  C1x C    20.2341   -9.6832
            23  C1x C    19.0202  -10.3841
            24  C1b C    22.6598   -9.6748
            25  C1b C    23.8738  -10.3756
            26  O1a O    25.0877   -9.6748
            27  X   Cl   21.4671  -15.9803
BOND        30
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   13  27 1

» Japanese version   » Back

DBGET integrated database retrieval system