KEGG   DRUG: D08693Help
Entry
D08693                      Drug                                   

Name
Zuclopenthixol dihydrochloride;
Clopixol (TN)
Formula
C22H25ClN2OS. 2HCl
Exact mass
472.091
Mol weight
473.8866
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Neuroleptic
Remark
ATC code: 
Drug group: 
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
hsa04728  Dopaminergic synapse  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AF Thioxanthene derivatives
     N05AF05 Zuclopenthixol
      D08693  Zuclopenthixol dihydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor
     Zuclopenthixol
      D08693  Zuclopenthixol dihydrochloride
    dopamine D2-receptor
     Zuclopenthixol
      D08693  Zuclopenthixol dihydrochloride
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Zuclopenthixol
    D08693  Zuclopenthixol dihydrochloride
BRITE hierarchy
Other DBs
CAS: 
633-59-0
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8x C    17.5000  -20.3700
            2   C8x C    17.5000  -21.7700
            3   C8x C    18.7600  -22.4700
            4   C8y C    19.9500  -21.7700
            5   C8y C    19.9500  -20.3700
            6   C8x C    18.7600  -19.6700
            7   S2x S    21.1400  -22.4700
            8   C8y C    22.4000  -21.7700
            9   C8y C    22.4000  -20.3700
            10  C8y C    21.1400  -19.6700
            11  C8x C    23.5900  -22.4700
            12  C8x C    24.7800  -21.7700
            13  C8y C    24.7800  -20.3700
            14  C8x C    23.5900  -19.6700
            15  C2b C    21.1400  -18.2700
            16  C1b C    22.4000  -17.5700
            17  C1b C    22.4000  -16.1700
            18  N1y N    23.5900  -15.4700
            19  C1x C    24.7800  -16.1700
            20  C1x C    25.9700  -15.4700
            21  N1y N    25.9700  -14.0700
            22  C1x C    24.7800  -13.3700
            23  C1x C    23.5900  -14.0700
            24  C1b C    27.2300  -13.3700
            25  C1b C    28.4200  -14.0700
            26  O1a O    29.6100  -13.3700
            27  X   Cl   26.0400  -19.6700
            28  X   Cl   29.4000  -18.4100
            29  X   Cl   29.4700  -20.6500
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

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