| Entry |
|
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| Name |
Dexlansoprazole sesquihydrate |
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| Product |
|
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| Generic |
|
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| Formula |
(C16H14F3N3O2S)2. 3H2O
|
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| Exact mass |
792.1835
|
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| Mol weight |
792.7688
|
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| Structure |
|
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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
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
|
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| Remark |
| Product (DG03298): | D08903<US> D12816<US> |
|
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| Efficacy |
Anti-ulcerative, Proton pump inhibitor |
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| Disease |
Non-erosive gastroesophageal reflux disease [DS: H01602] |
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| 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 |
CYP inhibition: CYP2C19 [HSA: 1557]
|
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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
A02BC06 Dexlansoprazole
D12816 Dexlansoprazole sesquihydrate <US>
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
DG03298 Dexlansoprazole
D12816 Dexlansoprazole sesquihydrate
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG03298 Dexlansoprazole
D12816 Dexlansoprazole sesquihydrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03298 Dexlansoprazole
D12816 Dexlansoprazole sesquihydrate
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
DG03298 Dexlansoprazole
D12816 Dexlansoprazole sesquihydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP4
D12816 Dexlansoprazole sesquihydrate <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12816
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
DG03298 Dexlansoprazole
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG03298 Dexlansoprazole
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03298 Dexlansoprazole
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
DG03298 Dexlansoprazole
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 53
1 C8x C 11.5508 -12.9513
2 C8x C 11.5508 -14.3520
3 C8x C 12.8113 -15.0523
4 C8y C 14.0019 -14.3520
5 C8y C 14.0019 -12.9513
6 C8x C 12.8113 -12.2510
7 N5x N 15.3325 -14.7721
8 C8y C 16.1728 -13.6517
9 N4x N 15.3325 -12.5312
10 S4a S 17.5735 -13.6517
11 C1b C 18.2738 -14.8422
12 O3c O 18.2738 -12.4611
13 C8y C 19.6744 -14.8422
14 C8y C 20.3747 -16.1027
15 C8y C 21.7753 -16.1027
16 C8x C 22.4756 -14.8422
17 C8x C 21.7753 -13.6517
18 N5x N 20.3747 -13.6517
19 C1a C 19.6744 -17.2933
20 O2a O 22.4756 -17.2933
21 C1b C 23.8763 -17.2933
22 C1d C 24.5766 -18.4838
23 X F 25.2769 -19.6743
24 X F 25.7671 -17.7835
25 X F 23.3160 -19.1841
26 O0 O 31.0800 -16.1700
27 C8x C 11.5508 -12.9513
28 C8x C 11.5508 -14.3520
29 C8x C 12.8113 -15.0523
30 C8y C 14.0019 -14.3520
31 C8y C 14.0019 -12.9513
32 C8x C 12.8113 -12.2510
33 N4x N 15.3325 -12.5312
34 C8y C 16.1728 -13.6517
35 N5x N 15.3325 -14.7721
36 S4a S 17.5735 -13.6517
37 C1b C 18.2738 -14.8422
38 C8y C 19.6744 -14.8422
39 C8y C 20.3747 -16.1027
40 C8y C 21.7753 -16.1027
41 C8x C 22.4756 -14.8422
42 C8x C 21.7753 -13.6517
43 N5x N 20.3747 -13.6517
44 O2a O 22.4756 -17.2933
45 C1b C 23.8763 -17.2933
46 C1d C 24.5766 -18.4838
47 X F 25.2769 -19.6743
48 X F 25.7671 -17.7835
49 X F 23.3160 -19.1841
50 C1a C 19.6744 -17.2933
51 O3c O 18.2738 -12.4611
52 O0 O 31.0800 -16.1700
53 O0 O 31.0800 -16.1700
BOND 54
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1 #Down
13 10 12 2
14 11 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 14 19 1
22 15 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 1
27 22 25 1
28 27 28 2
29 28 29 1
30 29 30 2
31 30 31 1
32 31 32 2
33 27 32 1
34 30 35 1
35 35 34 2
36 34 33 1
37 31 33 1
38 34 36 1
39 36 37 1 #Down
40 36 51 2
41 37 38 1
42 38 39 2
43 39 40 1
44 40 41 2
45 41 42 1
46 42 43 2
47 38 43 1
48 39 50 1
49 40 44 1
50 44 45 1
51 45 46 1
52 46 47 1
53 46 48 1
54 46 49 1
BRACKET 1 11.4800 -21.1400 11.4800 -10.9900
1 26.5300 -10.9900 26.5300 -21.1400
1 2
ORIGINAL 1 1 2 3 4 5 6 9 8 7 10 11 13 14 15 16 17
1 18 20 21 22 23 24 25 19 12
REPEAT 1 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42
1 43 44 45 46 47 48 49 50 51
2 28.9100 -17.0100 28.9100 -15.0500
2 31.7800 -15.0500 31.7800 -17.0100
2 3
ORIGINAL 2 26
REPEAT 2 52 53
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