Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0073)
Drug Name
Alosetron hydrochloride
Synonyms
Alosetron (Hydrochloride); Alosetron hydrochloride [USAN]; C17H19ClN4O; DSSTox_CID_24208; DSSTox_GSID_44208; DSSTox_RID_80120; GR 68755; GR 68755X; GR 68755c; GR-68755C; HSDB 7055; UNII-2F5R1A46YW; alosetron monohydrochloride; 122852-69-1; 2,3,4,5-Tetrahydro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrido[4,3-b]indol-1-one hydrochloride; 2F5R1A46YW; 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one hydrochloride; ALOSETRON HYDROCHLORIDE
Indication Irritable bowel syndrome [ICD11: DD91] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 330.8 Topological Polar Surface Area 53.9
Heavy Atom Count 23 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
60758
ChEBI ID
CHEBI:53783
CAS Number
122852-69-1
TTD Drug ID
D06GKN
Formula
C17H19ClN4O
Canonical SMILES
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
InChI
1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Alosetron hydrochloride Metabolite M2 DM016598
131886242
Unclear - Unclear 1 [5]
Alosetron hydrochloride Metabolite M22 DM015963
19799269
Unclear - Unclear 1 [5]
Alosetron hydrochloride Metabolite M26 DM015730
11023845
Unclear - Unclear 1 [5]
Alosetron hydrochloride Metabolite M3 DM018019 N. A. Unclear - Unclear 1 [5]
Alosetron hydrochloride Metabolite M4 DM015957
18957743
Unclear - Unclear 1 [5]
Alosetron hydrochloride Metabolite M5 DM016712
145722012
Unclear - Unclear 1 [5]
Alosetron hydrochloride Metabolite M8 DM018006 N. A. Unclear - Unclear 1 [5]
Alosetron hydrochloride Metabolite M1 DM018009 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M10 DM016806
156028086
Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M11 DM018018 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M13 DM018016 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M14 DM018007 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M16 DM018010 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M17 DM018015 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M20 DM018004 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M21 DM018014 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M23 DM018011 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M24 DM018020 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M27 DM018013 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M28 DM018021 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M6 DM018012 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M7 DM018001 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M9 DM018017 N. A. Unclear - Unclear 2 [5]
Alosetron hydrochloride Metabolite M12 DM018002 N. A. Unclear - Unclear 3 [5]
Alosetron hydrochloride Metabolite M18 DM018005 N. A. Unclear - Unclear 3 [5]
Alosetron hydrochloride Metabolite M25 DM018008 N. A. Unclear - Unclear 3 [5]
Alosetron hydrochloride Metabolite M19 DM018003 N. A. Unclear - Unclear 4 [5]
⏷ Show the Full List of 27  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009807 Alosetron hydrochloride Alosetron hydrochloride Metabolite M26 Unclear - Unclear Unclear [5]
MR009811 Alosetron hydrochloride Alosetron hydrochloride Metabolite M4 Unclear - Unclear Unclear [5]
MR009814 Alosetron hydrochloride Alosetron hydrochloride Metabolite M8 Unclear - Unclear Unclear [5]
MR009817 Alosetron hydrochloride Alosetron hydrochloride Metabolite M2 Unclear - Unclear Unclear [5]
MR009821 Alosetron hydrochloride Alosetron hydrochloride Metabolite M22 Unclear - Unclear Unclear [5]
MR009828 Alosetron hydrochloride Alosetron hydrochloride Metabolite M5 Unclear - Unclear Unclear [5]
MR009831 Alosetron hydrochloride Alosetron hydrochloride Metabolite M3 Unclear - Unclear Unclear [5]
MR009818 Alosetron hydrochloride Metabolite M2 Alosetron hydrochloride Metabolite M1 Unclear - Unclear Unclear [5]
MR009819 Alosetron hydrochloride Metabolite M2 Alosetron hydrochloride Metabolite M16 Unclear - Unclear Unclear [5]
MR009820 Alosetron hydrochloride Metabolite M2 Alosetron hydrochloride Metabolite M23 Unclear - Unclear Unclear [5]
MR009822 Alosetron hydrochloride Metabolite M22 Alosetron hydrochloride Metabolite M10 Unclear - Unclear Unclear [5]
MR009823 Alosetron hydrochloride Metabolite M22 Alosetron hydrochloride Metabolite M6 Unclear - Unclear Unclear [5]
MR009824 Alosetron hydrochloride Metabolite M22 Alosetron hydrochloride Metabolite M27 Unclear - Unclear Unclear [5]
MR009808 Alosetron hydrochloride Metabolite M26 Alosetron hydrochloride Metabolite M7 Unclear - Unclear Unclear [5]
MR009832 Alosetron hydrochloride Metabolite M3 Alosetron hydrochloride Metabolite M24 Unclear - Unclear Unclear [5]
MR009833 Alosetron hydrochloride Metabolite M3 Alosetron hydrochloride Metabolite M28 Unclear - Unclear Unclear [5]
MR009812 Alosetron hydrochloride Metabolite M4 Alosetron hydrochloride Metabolite M20 Unclear - Unclear Unclear [5]
MR009825 Alosetron hydrochloride Metabolite M4 Alosetron hydrochloride Metabolite M21 Unclear - Unclear Unclear [5]
MR009826 Alosetron hydrochloride Metabolite M4 Alosetron hydrochloride Metabolite M17 Unclear - Unclear Unclear [5]
MR009829 Alosetron hydrochloride Metabolite M5 Alosetron hydrochloride Metabolite M9 Unclear - Unclear Unclear [5]
MR009830 Alosetron hydrochloride Metabolite M5 Alosetron hydrochloride Metabolite M11 Unclear - Unclear Unclear [5]
MR009815 Alosetron hydrochloride Metabolite M8 Alosetron hydrochloride Metabolite M14 Unclear - Unclear Unclear [5]
MR009827 Alosetron hydrochloride Metabolite M8 Alosetron hydrochloride Metabolite M13 Unclear - Unclear Unclear [5]
MR009816 Alosetron hydrochloride Metabolite M14 Alosetron hydrochloride Metabolite M25 Unclear - Unclear Unclear [5]
MR009813 Alosetron hydrochloride Metabolite M20 Alosetron hydrochloride Metabolite M18 Unclear - Unclear Unclear [5]
MR009809 Alosetron hydrochloride Metabolite M7 Alosetron hydrochloride Metabolite M12 Unclear - Unclear Unclear [5]
MR009810 Alosetron hydrochloride Metabolite M12 Alosetron hydrochloride Metabolite M19 Unclear - Unclear Unclear [5]
⏷ Show the Full List of 27 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
References
1 Alosetron Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Optimizing outcomes with alosetron hydrochloride in severe diarrhea-predominant irritable bowel syndrome. Therap Adv Gastroenterol. 2010 May;3(3):165-72.
3 Effect of alosetron on the pharmacokinetics of fluoxetine. J Clin Pharmacol. 2001 Apr;41(4):455-8.
4 Effect of alosetron on the pharmacokinetics of alprazolam. J Clin Pharmacol. 2001 Apr;41(4):452-4.
5 Characterization of the metabolites of alosetron in experimental animals and human

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