| Entry |
|
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| Name |
Alosetron (INN) |
|---|
| Formula |
C17H18N4O
|
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| Exact mass |
294.1481
|
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| Mol weight |
294.351
|
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| Structure |
|
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| Simcomp |
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| Class |
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01642 CYP2C9 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
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| Remark |
| Product (DG00046): | D02829<US> |
|
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| Efficacy |
Anti-emetic, Serotonin 5-HT3 receptor antagonist |
|---|
| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP1A2 [HSA: 1544]; CYP3A4 [HSA: 1576], CYP2C9 [HSA: 1559]
|
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AE Serotonin receptor antagonists
A03AE01 Alosetron
D07129 Alosetron (INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG00046 Alosetron
D07129 Alosetron
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00046 Alosetron
D07129 Alosetron
DG01642 CYP2C9 substrate
DG00046 Alosetron
D07129 Alosetron
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00046 Alosetron
D07129 Alosetron
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D07129 Alosetron (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07129
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG00046 Alosetron
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00046 Alosetron
DG01642 CYP2C9 substrate
DG00046 Alosetron
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00046 Alosetron
|
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| Other DBs |
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| KCF data |
ATOM 22
1 C1x C 25.9059 -17.5588
2 N1y N 25.9059 -18.9636
3 C5x C 27.1000 -19.6661
4 C8y C 28.2941 -18.9636
5 C8y C 28.2941 -17.5588
6 C1x C 27.1000 -16.8564
7 O5x O 27.1000 -21.0709
8 C8y C 29.6990 -19.3851
9 C8y C 30.4716 -18.2612
10 N4y N 29.6990 -17.0671
11 C8x C 30.2609 -20.6494
12 C8x C 31.6657 -20.7899
13 C8x C 32.4384 -19.6661
14 C8x C 31.8764 -18.4017
15 C1b C 24.6416 -19.6661
16 C8y C 23.4475 -18.9636
17 C1a C 30.1204 -15.7326
18 C8y C 23.4475 -17.5588
19 C1a C 24.6416 -16.8564
20 N4x N 22.1129 -17.1374
21 C8x C 21.3403 -18.2612
22 N5x N 22.1129 -19.3851
BOND 25
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 3 7 2
8 4 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 2 15 1
18 15 16 1
19 10 17 1
20 16 18 2
21 18 19 1
22 18 20 1
23 20 21 1
24 21 22 2
25 16 22 1
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