etoricoxib   Click here for help

GtoPdb Ligand ID: 2896

Synonyms: Arcoxia® | MK 0663 | MK-0663 | MK0663
Approved drug PDB Ligand Immunopharmacology Ligand
etoricoxib is an approved drug
Compound class: Synthetic organic
Comment: Etoricoxib is a selective COX-2 inhibitor, non-steroidal anti-inflammatory (NSAID) drug.

COVID-19: Etoricoxib offers potential to be repositioned to inhibit cytokine storm in COVID-19 patients [2].
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View more information in the IUPHAR Pharmacology Education Project: etoricoxib

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 68.3
Molecular weight 358.05
XLogP 3.94
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C
Isomeric SMILES Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C
InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
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Summary of Clinical Use Click here for help
Used in the treatment of rheumatoid arthritis, osteoarthritis, chronic lower back pain, ankylosing spondylitis, acute pain and gout. There is no information regarding approval for medicinal use of etoricoxib on the US FDA website. Individual national agencies may have granted marketing approval.