KEGG   DRUG: D01742Help
Entry
D01742                      Drug                                   

Name
Clebopride malate (JP16);
Clast (TN)
Formula
C20H25ClN3O2. C4H5O5
Exact mass
507.1772
Mol weight
507.9639
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
      D01742  Clebopride malate (JP16)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor
     Clebopride
      D01742  Clebopride malate (JP16)
    dopamine D2-receptor
     Clebopride
      D01742  Clebopride malate (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01742  Clebopride malate
BRITE hierarchy
Other DBs
CAS: 
57645-91-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   C8x C    21.3500  -16.5900
            2   C8x C    21.3500  -17.9900
            3   C8x C    20.1600  -18.6900
            4   C8y C    18.9700  -17.9900
            5   C8x C    18.9700  -16.5900
            6   C8x C    20.1600  -15.8900
            7   C1b C    17.7800  -18.6900
            8   N2y N    16.5200  -17.9900 #+
            9   C1x C    15.3300  -18.6900
            10  C1x C    14.1400  -17.9900
            11  C1y C    14.1400  -16.5900
            12  C1x C    15.3300  -15.8900
            13  C1x C    16.5200  -16.5900
            14  N1b N    12.8800  -15.8900
            15  C5a C    11.6200  -16.5900
            16  C8y C    10.4300  -15.8900
            17  O5a O    11.6200  -17.9900
            18  C8x C     9.2400  -16.5900
            19  C8y C     7.9800  -15.8900
            20  C8y C     7.9800  -14.4200
            21  C8x C     9.2400  -13.7200
            22  C8y C    10.4300  -14.4200
            23  O2a O    11.6200  -13.7200
            24  N1a N     6.7900  -13.7200
            25  X   Cl    6.7900  -16.5900
            26  C1a C    11.6200  -12.3200
            27  C1b C    28.0000  -16.5200
            28  C1c C    26.8100  -15.8200
            29  C6a C    29.2600  -15.8200
            30  C6a C    25.6200  -16.5200
            31  O6a O    29.2600  -14.4200
            32  O6a O    30.4500  -16.5200
            33  O6a O    25.6200  -17.9900
            34  O6a O    24.3600  -15.8200 #-
            35  O1a O    26.8100  -14.4200
BOND        36
            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
            29   27  28 1
            30   27  29 1
            31   28  30 1
            32   29  31 2
            33   29  32 1
            34   30  33 2
            35   30  34 1
            36   28  35 1

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