| Entry |
|
|---|
| Name |
Esomeprazole sodium (USAN);
Nexium IV (TN) |
|---|
| Product |
|
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| Generic |
|
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| Formula |
C17H18N3O3S. Na
|
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| Exact mass |
367.0967
|
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| Mol weight |
367.3979
|
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| Structure |
|
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| Simcomp |
|
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| 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): | D01984<JP/US> D04056<US> D10120<US> D11114<US> |
|
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| Efficacy |
Antisecretory (gastric acid), Anti-ulcerative, Proton pump inhibitor |
|---|
| Disease |
Gastroesophageal reflux disease [DS: H01602] Gastric or duodenal ulcers [DS: H01634] |
|---|
| Comment |
Benzimidazole derivative
|
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP2C19 [HSA: 1557]; CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| 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
D04056 Esomeprazole sodium (USAN) <US>
USP drug classification [BR:br08302]
Gastrointestinal Agents
Proton Pump Inhibitors
Esomeprazole
D04056 Esomeprazole sodium (USAN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
DG00023 Esomeprazole
D04056 Esomeprazole sodium
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00023 Esomeprazole
D04056 Esomeprazole sodium
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00023 Esomeprazole
D04056 Esomeprazole sodium
Drug classes [BR:br08332]
Gastrointestinal agent
DG01646 Proton pump inhibitor (PPI)
D04056 Esomeprazole sodium
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP4
D04056 Esomeprazole sodium (USAN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D04056
Pharmacogenomic biomarkers [br08341.html]
Polymorphisms and mutations affecting drug response
D04056
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 25
1 C8x C 22.6302 -20.2561
2 C8y C 22.6302 -21.6581
3 C8x C 23.8480 -22.3555
4 C8x C 23.8480 -19.5516
5 C8y C 25.0590 -20.2561
6 C8y C 25.0531 -21.6615
7 N5x N 26.3882 -22.0992
8 C8y C 27.2216 -20.9643
9 N4x N 26.3975 -19.8226 #-
10 S4a S 28.6112 -20.9607
11 C1b C 29.3087 -22.2423
12 C8y C 30.7035 -22.2423
13 C8y C 31.4043 -23.4514
14 C8y C 32.7992 -23.4514
15 C8y C 33.4933 -22.2423
16 C8x C 32.7992 -21.0334
17 N5x N 31.4043 -21.0334
18 C1a C 34.8950 -22.2423
19 O2a O 33.4966 -24.6663
20 C1a C 34.8986 -24.6663
21 C1a C 30.6999 -24.6663
22 O3c O 29.3063 -19.8142
23 O2a O 21.4225 -22.3560
24 C1a C 20.2072 -21.6593
25 Z Na 26.3882 -17.7090 #+
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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