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].
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: etoricoxib

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
1. Riendeau D, Percival MD, Brideau C, Charleson S, Dubé D, Ethier D, Falgueyret JP, Friesen RW, Gordon R, Greig G et al.. (2001)
Etoricoxib (MK-0663): preclinical profile and comparison with other agents that selectively inhibit cyclooxygenase-2.
J Pharmacol Exp Ther, 296 (2): 558-66. [PMID:11160644]
2. Wang R. (2021)
Etoricoxib may inhibit cytokine storm to treat COVID-19.
Med Hypotheses, 150: 110557. [PMID:33730601]