KEGG   DRUG: ClopenthixolHelp
Entry
D02613                      Drug                                   

Name
Clopenthixol (USAN)
Formula
C22H25ClN2OS
Exact mass
400.1376
Mol weight
400.9647
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01473  Dopamine D1-receptor antagonist
  DG01474  Dopamine D2-receptor 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
Drug 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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D02613  Clopenthixol (USAN)
    DRD2
     D02613  Clopenthixol (USAN)
BRITE hierarchy
Other DBs
CAS: 982-24-1
PubChem: 17396783
ChEBI: 59115
ChEMBL: CHEMBL53904
LigandBox: D02613
NIKKAJI: J9.475G
LinkDB All DBs
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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