tropisetron   Click here for help

GtoPdb Ligand ID: 260

Synonyms: ICF 205-930 | ICS 205930 | Navoban® | tropisteron
Approved drug PDB Ligand
tropisetron is an approved drug
Compound class: Synthetic organic
Comment: There is some ambiguity in the literature as to the exact stereochemistry of tropisetron. The structure shown here matches the INN-assigned structure and is the same as the the ChEBI and ChEMBL entries linked to above. There is no exact match in PubChem for the structure shown here.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 45.33
Molecular weight 284.15
XLogP 3.43
No. Lipinski's rules broken 0
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Canonical SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cccc2
Isomeric SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2
InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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Summary of Clinical Use Click here for help
Used as an antiemetic to treat nausea and vomiting following chemotherapy. There is no information regarding approval for clinical use of this drug on the US FDA or European Medicines Agency websites. Individual national approval agencies may have granted marketing authorisation.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Tropisetron is a serotonin 5-HT3 receptor antagonist