| Entry |
|
|---|
| Name |
Esomeprazole (INN);
Inexium paranova (TN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C17H19N3O3S
|
|---|
| Exact mass |
345.1147
|
|---|
| Mol weight |
345.42
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00023): | D07917<US> D01984<JP/US> D04056<US> D10120<US> D11114<US> |
|
|---|
| Efficacy |
Antisecretory (gastric acid), Anti-ulcerative, Proton pump inhibitor |
|---|
| Comment |
Benzimidazole derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2C19 [HSA: 1557]; CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A02 DRUGS FOR ACID RELATED DISORDERS
A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
A02BC Proton pump inhibitors
A02BC05 Esomeprazole
D07917 Esomeprazole (INN) <US>
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
DG00023 Esomeprazole
D07917 Esomeprazole
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00023 Esomeprazole
D07917 Esomeprazole
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00023 Esomeprazole
D07917 Esomeprazole
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP4
D07917 Esomeprazole (INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07917
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
DG00023 Esomeprazole
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00023 Esomeprazole
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00023 Esomeprazole
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 24
1 C8x C 21.3644 -16.5406
2 C8y C 21.3644 -17.9366
3 C8x C 22.6208 -18.6345
4 C8x C 22.6208 -15.8427
5 C8y C 23.8073 -16.5406
6 C8y C 23.8073 -17.9366
7 N5x N 25.1334 -18.4251
8 C8y C 25.9710 -17.2386
9 N4x N 25.1334 -16.1219
10 S4a S 27.3669 -17.2384
11 C1b C 28.0649 -18.5647
12 C8y C 29.4608 -18.5647
13 C8y C 30.1588 -19.7513
14 C8y C 31.5547 -19.7513
15 C8y C 32.1829 -18.5647
16 C8x C 31.5547 -17.3084
17 N5x N 30.1588 -17.3084
18 C1a C 33.6486 -18.5647
19 O2a O 32.2527 -20.9378
20 C1a C 33.6486 -20.9378
21 C1a C 29.4608 -20.9378
22 O3c O 28.0649 -16.1219
23 O2a O 20.1778 -18.6345
24 C1a C 18.9912 -17.9366
BOND 26
1 2 3 1
2 23 24 1
3 8 10 1
4 3 6 2
5 10 11 1 #Up
6 5 4 2
7 11 12 1
8 4 1 1
9 12 13 2
10 13 14 1
11 14 15 2
12 15 16 1
13 16 17 2
14 17 12 1
15 1 2 2
16 15 18 1
17 5 6 1
18 14 19 1
19 6 7 1
20 19 20 1
21 7 8 2
22 13 21 1
23 8 9 1
24 10 22 2
25 9 5 1
26 2 23 1
|
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