Ligand id: 9850

Name: GW406381

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 81.94
Molecular weight 393.11
XLogP 4.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
GW406381 is almost 30000 times more potent at COX2 compared to COX1 [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
COX-2 Hs Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
COX-1 Hs Inhibitor Inhibition <4.1 pIC50 - 1
pIC50 <4.1 (IC50 >8.42x10-5 M) [1]