ondansetron   Click here for help

GtoPdb Ligand ID: 2290

Synonyms: GR-38032F/GR-38032 | ondansetron hydrochloride | ondansetron hydrochloride dihydrate | Zofran®
Approved drug PDB Ligand
ondansetron is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: The approved drug ondansetron is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
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View more information in the IUPHAR Pharmacology Education Project: ondansetron

2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C
Isomeric SMILES O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C
InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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Summary of Clinical Use Click here for help
Used in the treatment of nausea and vomiting associated with chemotherapy, radiation therapy, following surgery.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Selective antagonism of 5HT3 receptors expressed centrally and peripherally leads to the antiemetic activity of the drug through inhibition of the visceral afferent stimulation of the vomiting centre.
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