KEGG   DRUG: CisaprideHelp
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
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01763  Propulsive
Cyp substrate
 DG01633  CYP3A substrate
Remark
ATC code: 
Chemical group: 
Activity
Prokinetic, Serotonin receptor agonist
Comment
Benzamide derivative
Target
HTR4 [HSA:3360] [KO:K04160]
  Pathway
Calcium signaling pathway
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]
 CYP substrates
  CYP3A4
   Cisapride
    D02092  Cisapride (JAN)
  CYP3A5
   Cisapride
    D02092  Cisapride (JAN)
  CYP3A7
   Cisapride
    D02092  Cisapride (JAN)
  CYP3A
   Cisapride
    D02092  Cisapride (JAN)
BRITE hierarchy
Other DBs
CAS: 
260779-88-2
PubChem: 
ChEMBL: 
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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