| Entry |
|
|---|
| Name |
Esomeprazole potassium (USAN) |
|---|
| Formula |
C17H18N3O3S. K
|
|---|
| Exact mass |
383.0706
|
|---|
| Mol weight |
383.5064
|
|---|
| 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): | 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 |
|
|---|
| 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
D09339 Esomeprazole potassium (USAN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
DG00023 Esomeprazole
D09339 Esomeprazole potassium
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00023 Esomeprazole
D09339 Esomeprazole potassium
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00023 Esomeprazole
D09339 Esomeprazole potassium
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP4
D09339 Esomeprazole potassium (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09339
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
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8x C 18.6200 -21.0000
2 C8y C 18.6200 -22.4000
3 C8x C 19.8800 -23.1000
4 C8x C 19.8800 -20.3000
5 C8y C 21.0700 -21.0000
6 C8y C 21.0700 -22.4000
7 N5x N 22.4000 -22.8900
8 C8y C 23.2400 -21.7000
9 N4x N 22.4000 -20.5800 #-
10 S4a S 24.6400 -21.7000
11 C1b C 25.3400 -23.0300
12 C8y C 26.7400 -23.0300
13 C8y C 27.4400 -24.2200
14 C8y C 28.8400 -24.2200
15 C8y C 29.4700 -23.0300
16 C8x C 28.8400 -21.7700
17 N5x N 27.4400 -21.7700
18 C1a C 30.9400 -23.0300
19 O2a O 29.5400 -25.4100
20 C1a C 30.9400 -25.4100
21 C1a C 26.7400 -25.4100
22 O3c O 25.3400 -20.5800
23 O2a O 17.4300 -23.1000
24 C1a C 16.2400 -22.4000
25 Z K 22.1200 -18.8300 #+
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
|
|---|
