Ligand id: 9850

Name: GW406381

Structure and Physico-chemical Properties

2D Structure
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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

Bioactivity Comments
GW406381 is almost 30000 times more potent at COX2 compared to COX1 [1].
Selectivity at enzymes
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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]