Entry |
|
Name |
Alosetron hydrochloride (USAN); Lotrpnex (TN) |
Product |
|
Generic |
|
Formula |
C17H18N4O. HCl
|
Exact mass |
330.1247
|
Mol weight |
330.81
|
Structure |
|
Simcomp |
|
Class |
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01642 CYP2C9 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
Remark |
Product (DG00046): | D02829<US> |
|
Efficacy |
Anti-emetic, Serotonin 5-HT3 receptor antagonist |
Disease |
Irritable bowel syndrome [DS: H01615] |
Target |
|
Pathway |
|
Metabolism |
Enzyme: CYP1A2 [HSA: 1544]; CYP3A4 [HSA: 1576], CYP2C9 [HSA: 1559]
|
Interaction |
|
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
D02829 Alosetron hydrochloride (USAN) <US>
USP drug classification [BR:br08302]
Gastrointestinal Agents
Anti-diarrheal Agents
Alosetron
D02829 Alosetron hydrochloride (USAN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG00046 Alosetron
D02829 Alosetron hydrochloride
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00046 Alosetron
D02829 Alosetron hydrochloride
DG01642 CYP2C9 substrate
DG00046 Alosetron
D02829 Alosetron hydrochloride
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00046 Alosetron
D02829 Alosetron hydrochloride
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D02829 Alosetron hydrochloride (USAN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D02829
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D02829
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02829
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
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 23
1 X Cl 32.7879 -18.6713
2 C1x C 24.0510 -17.3425
3 N1y N 24.0510 -18.7409
4 C5x C 25.2620 -19.4401
5 C8y C 26.4731 -18.7409
6 C8y C 26.4731 -17.3425
7 C1x C 25.2620 -16.6433
8 O5x O 25.2620 -20.8383
9 C8y C 27.8031 -19.1730
10 C8y C 28.6250 -18.0417
11 N4y N 27.8031 -16.9104
12 C8x C 28.3718 -20.4505
13 C8x C 29.7625 -20.5966
14 C8x C 30.5845 -19.4653
15 C8x C 30.0157 -18.1878
16 C1b C 22.8400 -19.4401
17 C8y C 21.6459 -18.7505
18 C1a C 28.2337 -15.5851
19 C8y C 21.6459 -17.3601
20 C1a C 22.8464 -16.6669
21 N4x N 20.3236 -16.9304
22 C8x C 19.5063 -18.0552
23 N5x N 20.3235 -19.1801
BOND 25
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 2
5 6 7 1
6 2 7 1
7 4 8 2
8 5 9 1
9 9 10 1
10 10 11 1
11 6 11 1
12 9 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 10 15 2
17 3 16 1
18 16 17 1
19 11 18 1
20 17 19 2
21 19 20 1
22 19 21 1
23 21 22 1
24 22 23 2
25 17 23 1
|