KEGG   DRUG: D03534Help
Entry
D03534                      Drug                                   

Name
Clebopride (USAN);
Cleboril (TN)
Formula
C20H24ClN3O2
Exact mass
373.1557
Mol weight
373.8765
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-emetic
Remark
ATC code: 
Drug group: 
Target
dopamine D1-receptor antagonist [HSA:1812] [KO:K04144];
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction  
 
Interaction
Drug interaction
Structure map
Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03F PROPULSIVES
    A03FA Propulsives
     A03FA06 Clebopride
      D03534  Clebopride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor
     Clebopride
      D03534  Clebopride (USAN)
    dopamine D2-receptor
     Clebopride
      D03534  Clebopride (USAN)
BRITE hierarchy
Other DBs
CAS: 
55905-53-8
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8x C    25.9000  -16.5200
            2   C8x C    25.9000  -17.9200
            3   C8x C    24.7100  -18.6200
            4   C8y C    23.4500  -17.9200
            5   C8x C    23.4500  -16.5200
            6   C8x C    24.7100  -15.8200
            7   C1b C    22.2600  -18.6200
            8   N1y N    21.0000  -17.9200
            9   C1x C    19.8100  -18.6200
            10  C1x C    18.6200  -17.9200
            11  C1y C    18.6200  -16.5200
            12  C1x C    19.8100  -15.8200
            13  C1x C    21.0000  -16.5200
            14  N1b N    17.3600  -15.8200
            15  C5a C    16.1700  -16.5200
            16  C8y C    14.9800  -15.8200
            17  O5a O    16.1700  -17.9200
            18  C8x C    13.7900  -16.5200
            19  C8y C    12.5300  -15.8200
            20  C8y C    12.5300  -14.4200
            21  C8x C    13.7900  -13.7200
            22  C8y C    14.9800  -14.4200
            23  O2a O    16.1700  -13.7200
            24  N1a N    11.3400  -13.7200
            25  X   Cl   11.3400  -16.5200
            26  C1a C    16.1700  -12.3200
BOND        28
            1    15  17 2
            2     7   8 1
            3     1   2 2
            4     2   3 1
            5     3   4 2
            6     4   5 1
            7    16  18 2
            8    18  19 1
            9    19  20 2
            10   20  21 1
            11   21  22 2
            12   22  16 1
            13    5   6 2
            14   22  23 1
            15    8   9 1
            16    9  10 1
            17   20  24 1
            18   10  11 1
            19   19  25 1
            20   11  12 1
            21   12  13 1
            22   13   8 1
            23    6   1 1
            24   11  14 1
            25   14  15 1
            26    4   7 1
            27   15  16 1
            28   23  26 1

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