ondansetron

Ligand id: 2290

Name: ondansetron

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 39.82
Molecular weight 293.15
XLogP 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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®
Comments
The approved drug ondansetron is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
Database Links
BindingDB Ligand 50000493
CAS Registry No. 99614-02-5 (source: Scifinder)
ChEBI CHEBI:7773
ChEMBL Ligand CHEMBL46
DrugBank Ligand DB00904
GtoPdb PubChem SID 135650761
PubChem CID 4595
Search Google for chemical match using the InChIKey FELGMEQIXOGIFQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FELGMEQIXOGIFQ
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Search UniChem for chemical match using the InChIKey FELGMEQIXOGIFQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FELGMEQIXOGIFQ
Wikipedia Ondansetron