| Entry |
|
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| Name |
Metoclopramide hydrochloride (JAN);
Metoclopramide dihydrochloride monohydrate;
Primperan (TN);
Reglan (TN) |
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| Formula |
C14H22ClN3O2. 2HCl. H2O
|
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| Exact mass |
389.104
|
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| Mol weight |
390.7335
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| Structure |
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| Simcomp |
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| Class |
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
Gastrointestinal agent
DG01763 Propulsive
DG01489 5-HT3-receptor antagonist
DG01762 Antiemetic
DG01783 Benzamide type antiemetic
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
|
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| Remark |
| Therapeutic category: | 2399 |
| Product (DG00055): | D00726<JP> D02213<JP> D05008<US> |
|
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| Efficacy |
Anti-emetic, Prokinetic, Dopamine D2 receptor antagonist |
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| Comment |
Benzamide derivative
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
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| Interaction |
CYP inhibition: CYP2D6 [HSA: 1565]
|
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| Structure map |
| map07211 | Serotonin receptor agonists/antagonists |
| map07213 | Dopamine receptor agonists/antagonists |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03F PROPULSIVES
A03FA Propulsives
A03FA01 Metoclopramide
D02213 Metoclopramide hydrochloride (JAN) <JP>
USP drug classification [BR:br08302]
Antiemetics
Antiemetics, Other
Metoclopramide
D02213 Metoclopramide hydrochloride (JAN)
Gastrointestinal Agents
Gastrointestinal Agents, Other
Metoclopramide
D02213 Metoclopramide hydrochloride (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
23 Digestive organ agents
239 Miscellaneous
2399 Others
D02213 Metoclopramide hydrochloride (JAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00055 Metoclopramide
D02213 Metoclopramide hydrochloride
Gastrointestinal agent
DG01763 Propulsive
DG00055 Metoclopramide
D02213 Metoclopramide hydrochloride
DG01489 5-HT3-receptor antagonist
DG00055 Metoclopramide
D02213 Metoclopramide hydrochloride
DG01762 Antiemetic
DG01783 Benzamide type antiemetic
DG00055 Metoclopramide
D02213 Metoclopramide hydrochloride
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00055 Metoclopramide
D02213 Metoclopramide hydrochloride
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00055 Metoclopramide
D02213 Metoclopramide hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D02213 Metoclopramide hydrochloride (JAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02213
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00055 Metoclopramide
Gastrointestinal agent
DG01763 Propulsive
DG00055 Metoclopramide
DG01489 5-HT3-receptor antagonist
DG00055 Metoclopramide
DG01762 Antiemetic
DG01783 Benzamide type antiemetic
DG00055 Metoclopramide
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00055 Metoclopramide
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00055 Metoclopramide
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| Other DBs |
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| KCF data |
ATOM 23
1 C8y C 26.6059 -16.8048
2 C8y C 26.6059 -15.4045
3 C8x C 25.4156 -17.5050
4 C5a C 27.8662 -17.5050
5 C8x C 25.4156 -14.7044
6 O2a O 27.8662 -14.7044
7 C8y C 24.2255 -16.8048
8 N1b N 29.0566 -16.8048
9 O5a O 27.8662 -18.9053
10 C8y C 24.2255 -15.4045
11 C1a C 29.0566 -15.4045
12 X Cl 23.0352 -17.5050
13 C1b C 30.3168 -17.5050
14 N1a N 23.0352 -14.7044
15 C1b C 31.5071 -16.8048
16 N1c N 32.6974 -17.5050
17 C1b C 33.9577 -16.8048
18 C1b C 32.6974 -18.9053
19 C1a C 35.1479 -17.5050
20 C1a C 33.9577 -19.6054
21 X Cl 39.5501 -15.7501
22 O0 O 39.9701 -18.0601
23 X Cl 39.5501 -15.7501
BOND 20
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 10 14 1
14 13 15 1
15 15 16 1
16 16 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 7 10 2
BRACKET 1 38.0100 -16.7300 38.0100 -14.8400
1 40.3900 -14.8400 40.3900 -16.7300
1 2
ORIGINAL 1 21
REPEAT 1 23
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