Ligand id: 9420

Name: esflurbiprofen

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 244.09
XLogP 5.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Esflurbiprofen ((S)-flurbiprofen) inhibits prostaglandin biosynthesis in vitro at therapeutic concentrations [1]. COX-1 is inhibited with an IC50 of ~30nM and COX-2 with an IC50 of ~900nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
COX-2 Hs Inhibitor Inhibition 6.0 pIC50 - 1
pIC50 6.0 (IC50 9.1x10-7 M) [1]
Description: Inhibition of COX-2 in human blood.