KEGG   DRUG: CisaprideHelp
Entry
D00274                      Drug                                   

Name
Cisapride (USAN/INN)
Formula
C23H29ClFN3O4
Exact mass
465.1831
Mol weight
465.9455
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01763  Propulsive
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C06910
ATC code: A03FA02
Chemical structure group: DG00056
Efficacy
Prokinetic, Serotonin receptor agonist
Target
HTR4 [HSA:3360] [KO:K04160]
HTR3A [HSA:3359] [KO:K04819]
HTR2A [HSA:3356] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Structure map
map07211  Serotonin receptor agonists/antagonists
map07213  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
      D00274  Cisapride (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D00274  Cisapride (USAN/INN)
    HTR4
     D00274  Cisapride (USAN/INN)
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3A
     D00274  Cisapride (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 81098-60-4
PubChem: 7847340
ChEBI: 3720
ChEMBL: CHEMBL1729
DrugBank: DB00604
LigandBox: D00274
NIKKAJI: J299.805J
KCF data Show

ATOM        32
            1   C5a C    13.7900  -15.4000
            2   N1b N    15.0500  -14.7000
            3   O5a O    13.7900  -16.7999
            4   C1y C    16.2400  -15.4000
            5   C1y C    16.2400  -16.7999
            6   C1x C    17.4300  -14.7000
            7   C1x C    17.4300  -17.5000
            8   O2a O    14.9800  -17.5000
            9   C1x C    18.6200  -15.4000
            10  N1y N    18.6200  -16.7999
            11  C1a C    14.9800  -18.8999
            12  C1b C    19.8100  -17.5700
            13  C1b C    21.0700  -16.8699
            14  C1b C    22.2600  -17.5700
            15  O2a O    23.4500  -16.8699
            16  C8y C    24.7100  -17.5700
            17  C8x C    24.7100  -18.9699
            18  C8x C    25.9000  -16.8699
            19  C8x C    25.9000  -19.6700
            20  C8x C    27.0901  -17.6400
            21  C8y C    27.0901  -19.0399
            22  X   F    28.3500  -19.7400
            23  C8y C    12.5834  -14.6900
            24  C8y C    12.5950  -13.2999
            25  C8x C    11.3884  -12.5899
            26  C8y C    10.1702  -13.2797
            27  C8y C    10.1586  -14.6698
            28  C8x C    11.3652  -15.3799
            29  N1a N     8.9578  -12.5661
            30  X   Cl    8.9209  -15.3703
            31  O2a O    13.8170  -12.6080
            32  C1a C    13.7589  -11.2005
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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