KEGG   DRUG: ItoprideHelp
Entry
D08094                      Drug                                   

Name
Itopride (INN)
Formula
C20H26N2O4
Exact mass
358.1893
Mol weight
358.4314
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
  DG01594  Butyrylcholinesterase inhibitor
Gastrointestinal agent
 DG01763  Propulsive
Remark
ATC code: A03FA07
Chemical structure group: DG01395
Product (DG01395): D02729<JP>
Efficacy
Prokinetic, Dopamine receptor antagonist
Comment
Benzamide derivative
Target
DRD2 [HSA:1813] [KO:K04145]
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03F PROPULSIVES
    A03FA Propulsives
     A03FA07 Itopride
      D08094  Itopride (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08094  Itopride (INN)
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D08094  Itopride (INN)
BRITE hierarchy
Other DBs
CAS: 122898-67-3
PubChem: 96024784
ChEMBL: CHEMBL2107457
LigandBox: D08094
NIKKAJI: J354.055C
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    14.4200  -16.1700
            2   C8x C    14.4200  -14.7700
            3   C8x C    13.1600  -16.8700
            4   C5a C    15.6800  -16.8700
            5   C8x C    13.1600  -14.0700
            6   C8y C    11.9700  -16.1700
            7   N1b N    16.8700  -16.1700
            8   O5a O    15.6800  -18.2700
            9   C8y C    11.9700  -14.7700
            10  O2a O    10.7800  -16.8700
            11  C1b C    18.1300  -16.8700
            12  O2a O    10.7800  -14.0700
            13  C8y C    19.3200  -16.1700
            14  C1a C     9.5200  -14.7700
            15  C1a C     9.5200  -16.2400
            16  C8x C    20.5100  -16.8700
            17  C8x C    21.7000  -16.1700
            18  C8y C    21.7000  -14.7700
            19  C8x C    20.5100  -14.0700
            20  C8x C    19.3200  -14.7700
            21  O2a O    22.9600  -14.0700
            22  C1b C    24.0800  -14.7700
            23  C1b C    25.2700  -14.0700
            24  N1c N    26.5300  -14.7700
            25  C1a C    27.7200  -14.0700
            26  C1a C    26.5300  -16.1700
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13    6   9 2
            14   12  14 1
            15   10  15 1
            16   13  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   13  20 1
            22   18  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   24  26 1

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