KEGG   DRUG: D02092Help
Entry
D02092                      Drug                                   

Name
Cisapride (JAN);
Cisapride monohydrate;
Propulsid (TN)
Formula
C23H29ClFN3O4. H2O
Exact mass
483.1936
Mol weight
483.9607
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Stimulant [peristaltic]
Remark
ATC code: 
Drug group: 
Target
5-HT4-receptor agonist [HSA:3360] [KO:K04160]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
Drug interaction
Structure map
Serotonin receptor agonists/antagonists
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
     A03FA02 Cisapride
      D02092  Cisapride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT4-receptor
     Cisapride
      D02092  Cisapride (JAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Cisapride
    D02092  Cisapride (JAN)
  CYP3A5
   Cisapride
    D02092  Cisapride (JAN)
  CYP3A7
   Cisapride
    D02092  Cisapride (JAN)
BRITE hierarchy
Other DBs
CAS: 
260779-88-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        33
            1   C5a C    20.0899  -18.1300
            2   N1b N    21.3499  -17.4300
            3   O5a O    20.0899  -19.5299
            4   C1y C    22.5399  -18.1300
            5   C1y C    22.5399  -19.5299
            6   C1x C    23.7299  -17.4300
            7   C1x C    23.7299  -20.2300
            8   O2a O    21.2799  -20.2300
            9   C1x C    24.9200  -18.1300
            10  N1y N    24.9200  -19.5299
            11  C1a C    21.2799  -21.6299
            12  C1b C    26.1099  -20.3000
            13  C1b C    27.3700  -19.5999
            14  C1b C    28.5599  -20.3000
            15  O2a O    29.7500  -19.5999
            16  C8y C    31.0099  -20.3000
            17  C8x C    31.0099  -21.6999
            18  C8x C    32.2000  -19.5999
            19  C8x C    32.2000  -22.4000
            20  C8x C    33.3900  -20.3700
            21  C8y C    33.3900  -21.7699
            22  X   F    34.6499  -22.4700
            23  C8y C    18.8834  -17.4200
            24  C8y C    18.8950  -16.0299
            25  C8x C    17.6883  -15.3199
            26  C8y C    16.4702  -16.0097
            27  C8y C    16.4586  -17.3998
            28  C8x C    17.6651  -18.1099
            29  N1a N    15.2577  -15.2961
            30  X   Cl   15.2208  -18.1003
            31  O2a O    20.1169  -15.3380
            32  C1a C    21.2998  -16.0342
            33  O0  O    17.8492  -21.2800
BOND        34
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     4   5 1
            5     4   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   21  22 1
            22    9  10 1
            23   20  21 1
            24    1  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   23  28 2
            31   26  29 1
            32   27  30 1
            33   24  31 1
            34   31  32 1

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