| Entry |
|
|---|
| Name |
Itopride (INN) |
|---|
| Formula |
C20H26N2O4
|
|---|
| Exact mass |
358.1893
|
|---|
| Mol weight |
358.4314
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
DG01594 Butyrylcholinesterase inhibitor
Gastrointestinal agent
DG01763 Propulsive
Unclassified
DG03306 FMO substrate
DG03191 FMO1 substrate
DG02950 FMO3 substrate
|
|---|
| Remark |
| 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
D08094 Itopride (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
DG01395 Itopride
D08094 Itopride
DG01594 Butyrylcholinesterase inhibitor
DG01395 Itopride
D08094 Itopride
Gastrointestinal agent
DG01763 Propulsive
DG01395 Itopride
D08094 Itopride
Unclassified
DG03306 FMO substrate
DG03191 FMO1 substrate
DG01395 Itopride
D08094 Itopride
DG02950 FMO3 substrate
DG01395 Itopride
D08094 Itopride
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)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08094
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
DG01395 Itopride
DG01594 Butyrylcholinesterase inhibitor
DG01395 Itopride
Gastrointestinal agent
DG01763 Propulsive
DG01395 Itopride
Unclassified
DG03306 FMO substrate
DG03191 FMO1 substrate
DG01395 Itopride
DG02950 FMO3 substrate
DG01395 Itopride
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
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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