KEGG   DRUG: Itopride hydrochloride
Entry
D02729                      Drug                                   

Name
Itopride hydrochloride (JAN);
Ganaton (TN)
Formula
C20H26N2O4. HCl
Exact mass
394.1659
Mol weight
394.8924
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
  DG01594  Butyrylcholinesterase inhibitor
Gastrointestinal agent
 DG01763  Propulsive
Remark
Therapeutic category: 2399
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
Metabolism
Enzyme: FMO1 [HSA:2326], FMO3 [HSA:2328]
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
      D02729  Itopride hydrochloride (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D02729  Itopride hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02729  Itopride hydrochloride (JAN) <JP>
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D02729  Itopride hydrochloride (JAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02729
Other DBs
CAS: 122892-31-3
PubChem: 17396896
ChEMBL: CHEMBL2139257
LigandBox: D02729
NIKKAJI: J557.524I
KCF data

ATOM        27
            1   C8y C    14.4200  -16.2400
            2   C8x C    14.4200  -14.8400
            3   C8x C    13.1600  -16.9400
            4   C5a C    15.6800  -16.9400
            5   C8x C    13.1600  -14.1400
            6   C8y C    11.9700  -16.2400
            7   N1b N    16.8700  -16.2400
            8   O5a O    15.6800  -18.3400
            9   C8y C    11.9700  -14.8400
            10  O2a O    10.7800  -16.9400
            11  C1b C    18.1300  -16.9400
            12  O2a O    10.7800  -14.1400
            13  C8y C    19.3200  -16.2400
            14  C1a C     9.5200  -14.8400
            15  C1a C     9.5200  -16.3100
            16  C8x C    20.5100  -16.9400
            17  C8x C    21.7000  -16.2400
            18  C8y C    21.7000  -14.8400
            19  C8x C    20.5100  -14.1400
            20  C8x C    19.3200  -14.8400
            21  O2a O    22.9600  -14.1400
            22  C1b C    24.1500  -14.8400
            23  C1b C    25.3400  -14.1400
            24  N1c N    26.6000  -14.8400
            25  C1a C    27.7900  -14.1400
            26  C1a C    26.6000  -16.2400
            27  X   Cl   24.5700  -18.8300
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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