ondansetron

Ligand id: 2290

Name: ondansetron

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View more information in the IUPHAR Pharmacology Education Project: ondansetron

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 39.82
Molecular weight 293.15
XLogP 2.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name
9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
International Nonproprietary Names
INN number INN
5965 ondansetron
Synonyms
GR-38032F/GR-38032 | ondansetron hydrochloride | ondansetron hydrochloride dihydrate | Zofran®
Database Links
BindingDB Ligand 50000493
CAS Registry No. 99614-02-5 (source: Scifinder)
ChEBI CHEBI:7773
ChEMBL Ligand CHEMBL46
DrugBank Ligand DB00904
PubChem CID 4595
Search Google for chemical match using the InChIKey FELGMEQIXOGIFQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FELGMEQIXOGIFQ
Search PubMed clinical trials ondansetron
Search PubMed titles ondansetron
Search PubMed titles/abstracts ondansetron
Search UniChem for chemical match using the InChIKey FELGMEQIXOGIFQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FELGMEQIXOGIFQ
Wikipedia Ondansetron
Comments
The approved drug ondansetron is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.