KEGG   DRUG: CisaprideHelp
Entry
D00274                      Drug                                   

Name
Cisapride (USP/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 (USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D00274  Cisapride (USP/INN)
    HTR4
     D00274  Cisapride (USP/INN)
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3A
     D00274  Cisapride (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00274
BRITE hierarchy
Other DBs
CAS: 81098-60-4
PubChem: 7847340
ChEBI: 3720
ChEMBL: CHEMBL1729
DrugBank: DB00604
LigandBox: D00274
NIKKAJI: J299.805J
LinkDB All DBs
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

» Japanese version   » Back

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 search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01763  Propulsive
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Remark
ATC code: A03FA02
Chemical structure group: DG00056
Efficacy
Prokinetic, Serotonin receptor agonist
Comment
Benzamide derivative
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
      D02092  Cisapride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D02092  Cisapride (JAN)
    HTR4
     D02092  Cisapride (JAN)
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3A
     D02092  Cisapride (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02092
BRITE hierarchy
Other DBs
CAS: 260779-88-2
PubChem: 7849153
ChEMBL: CHEMBL1200788
LigandBox: D02092
LinkDB All DBs
KCF data Show

ATOM        33
            1   C5a C    13.7899  -15.4000
            2   N1b N    15.0499  -14.7000
            3   O5a O    13.7899  -16.7999
            4   C1y C    16.2399  -15.4000
            5   C1y C    16.2399  -16.7999
            6   C1x C    17.4299  -14.7000
            7   C1x C    17.4299  -17.5000
            8   O2a O    14.9799  -17.5000
            9   C1x C    18.6200  -15.4000
            10  N1y N    18.6200  -16.7999
            11  C1a C    14.9799  -18.8999
            12  C1b C    19.8099  -17.5700
            13  C1b C    21.0700  -16.8699
            14  C1b C    22.2598  -17.5700
            15  O2a O    23.4499  -16.8699
            16  C8y C    24.7098  -17.5700
            17  C8x C    24.7098  -18.9699
            18  C8x C    25.8999  -16.8699
            19  C8x C    25.8999  -19.6700
            20  C8x C    27.0899  -17.6400
            21  C8y C    27.0899  -19.0399
            22  X   F    28.3498  -19.7400
            23  C8y C    12.5834  -14.6900
            24  C8y C    12.5950  -13.2999
            25  C8x C    11.3883  -12.5899
            26  C8y C    10.1702  -13.2797
            27  C8y C    10.1586  -14.6698
            28  C8x C    11.3651  -15.3799
            29  N1a N     8.9577  -12.5661
            30  X   Cl    8.9208  -15.3703
            31  O2a O    13.8169  -12.6080
            32  C1a C    13.7588  -11.2005
            33  O0  O    11.5492  -18.5500
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

» Japanese version   » Back

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