| Name |
Domperidone (JP18/USAN/INN);Motilium (TN) |
| Formula |
C22H24ClN5O2 |
| Exact mass |
425.1619 |
| Mol weight |
425.91 |
| Structure |
 |
| Simcomp |
|
| Class |
Neuropsychiatric agent DG01478 Dopamine antagonist DG01474 Dopamine D2-receptor antagonistGastrointestinal agent DG01763 Propulsive DG01762 AntiemeticMetabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate |
| Remark |
Therapeutic category: 2399ATC code: A03FA03Chemical structure group: DG00057Product (DG00057): D01745<JP> |
| Efficacy |
Anti-emetic, Prokinetic, Dopamine D2 receptor antagonist |
| Comment |
Benzamide derivative |
| Target |
DRD2 [HSA:1813] [KO:K04145] |
| Pathway |
hsa04080 Neuroactive ligand-receptor interactionhsa04728 Dopaminergic synapse |
| Metabolism |
Enzyme: CYP3A4 [HSA:1576] |
| Interaction |
|
| Structure map |
map07213 Dopamine receptor agonists/antagonists |
| Other map |
map04976 Bile secretion |
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] A ALIMENTARY TRACT AND METABOLISM A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS A03F PROPULSIVES A03FA Propulsives A03FA03 Domperidone D01745 Domperidone (JP18/USAN/INN) Therapeutic category of drugs in Japan [BR:br08301] 2 Agents affecting individual organs 23 Digestive organ agents 239 Miscellaneous 2399 Others D01745 Domperidone (JP18/USAN/INN)Drug groups [BR:br08330] Neuropsychiatric agent DG01478 Dopamine antagonist DG01474 Dopamine D2-receptor antagonist DG00057 Domperidone D01745 Domperidone Gastrointestinal agent DG01763 Propulsive DG00057 Domperidone D01745 Domperidone DG01762 Antiemetic DG00057 Domperidone D01745 Domperidone Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG00057 Domperidone D01745 DomperidoneTarget-based classification of drugs [BR:br08310] G Protein-coupled receptors Rhodopsin family Dopamine DRD2 D01745 Domperidone (JP18/USAN/INN) Drugs listed in the Japanese Pharmacopoeia [BR:br08311] Chemicals D01745 DomperidoneDrug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D01745Drug groups [BR:br08330] Neuropsychiatric agent DG01478 Dopamine antagonist DG01474 Dopamine D2-receptor antagonist DG00057 Domperidone Gastrointestinal agent DG01763 Propulsive DG00057 Domperidone DG01762 Antiemetic DG00057 Domperidone Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG00057 Domperidone |
| Other DBs |
CAS: 57808-66-9PubChem: 7848808ChEBI: 31515LigandBox: D01745NIKKAJI: J3.199B |
| LinkDB |
|
| KCF data |
ATOM 30 1 C1x C 33.2500 -28.4200 2 C1y C 33.2500 -29.8200 3 C1x C 34.4624 -30.5200 4 C1x C 35.6749 -29.8200 5 N1y N 35.6749 -28.4200 6 C1x C 34.4624 -27.7200 7 N4y N 32.0376 -30.5200 8 C1b C 36.9060 -27.7090 9 C1b C 38.1112 -28.4047 10 C1b C 39.2935 -27.7219 11 N4y N 40.4875 -28.4112 12 C8y C 30.9024 -29.7327 13 N4x N 29.8066 -30.5707 14 C8y C 30.2649 -31.8718 15 C8y C 31.6440 -31.8379 16 C8x C 29.5949 -33.1010 17 C8y C 30.3244 -34.2259 18 C8x C 31.7035 -34.2621 19 C8x C 32.3735 -33.0328 20 X Cl 29.6349 -35.4565 21 O5x O 30.8698 -28.3500 22 C8y C 40.8974 -29.7499 23 N4x N 42.3028 -29.7732 24 C8y C 42.7593 -28.4437 25 C8y C 41.6359 -27.5989 26 O5x O 40.0495 -30.8770 27 C8x C 44.1489 -27.7737 28 C8x C 44.1446 -26.3737 29 C8x C 42.9251 -25.6747 30 C8x C 41.6449 -26.3785BOND 34 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 2 7 1 8 5 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 7 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 7 15 1 17 14 16 2 18 16 17 1 19 17 18 2 20 18 19 1 21 15 19 2 22 17 20 1 23 12 21 2 24 11 22 1 25 22 23 1 26 23 24 1 27 24 25 1 28 11 25 1 29 22 26 2 30 24 27 2 31 27 28 1 32 28 29 2 33 29 30 1 34 25 30 2 |
