alosetron

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Ligands
alosetron

Ligand id: 2296

Name: alosetron

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	2
Topological polar surface area	53.92
Molecular weight	294.15
XLogP	2.33
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic
Approved drug?	Yes (source: FDA (2002))

IUPAC Name
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

IUPAC Name

5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

International Nonproprietary Names
INN number	INN
6906	alosetron

Synonyms
GR68755
Lotronex®

Synonyms

GR68755

Lotronex®

Database Links
BindingDB Ligand	50131429
CAS Registry No.	122852-42-0
ChEBI	CHEBI:253342
ChEMBL Ligand	CHEMBL1110
DrugBank Ligand	DB00969
PharmGKB Drug	PA164745502
PubChem CID	2099
Search Google for chemical match using the InChIKey	JSWZEAMFRNKZNL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone	JSWZEAMFRNKZNL
Search PubMed clinical trials	alosetron
Search PubMed titles	alosetron
Search PubMed titles/abstracts	alosetron
Wikipedia	Alosetron

Comments
Having been withdrawn by the manufacturer in 2000 following reports of severe adverse effects, the FDA approved a supplemental new drug application (2002) which allows remarketing of the drug, but under conditions of restricted use.

Comments

Having been withdrawn by the manufacturer in 2000 following reports of severe adverse effects, the FDA approved a supplemental new drug application (2002) which allows remarketing of the drug, but under conditions of restricted use.