KEGG   DRUG: D02613Help
Entry
D02613                      Drug                                   

Name
Clopenthixol (USAN)
Formula
C22H25ClN2OS
Exact mass
400.1376
Mol weight
400.9647
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antipsychotic
Remark
ATC code: 
Target
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145];
dopamine D1-receptor antagonist [HSA:1812] [KO:K04144]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction  
 
Interaction
Drug interaction
Structure map
Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AF Thioxanthene derivatives
     N05AF02 Clopenthixol
      D02613  Clopenthixol (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor
     Clopenthixol
      D02613  Clopenthixol (USAN)
    dopamine D2-receptor
     Clopenthixol
      D02613  Clopenthixol (USAN)
BRITE hierarchy
Other DBs
CAS: 
982-24-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

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

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