| Entry |
|
|---|
| 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 |
| Product (DG01395): | D02729<JP> |
|
|---|
| Efficacy |
Prokinetic, Dopamine receptor antagonist |
|---|
| Comment |
Benzamide derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| 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 |
|
|---|
| LinkDB |
|
|---|
| 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
|
|---|
