Ligand id: 6696

Name: darapladib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 15
Topological polar surface area 81.19
Molecular weight 667.27
XLogP 10.29
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Bioactivity Comments
This compound is a highly specific inhibitor of lipoprotein-associated phospholipase A2 (Lp-PLA2) [10].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
PLA2-G7 Hs Inhibitor Inhibition 7.5 – 10.3 pIC50 - 1,11
pIC50 10.3 (IC50 4.9x10-11 M) [11]
Description: In a biochemical assay, measuring fluorescence intensity and using Thio-Paf.
pIC50 10.0 (IC50 1.1x10-10 M) [1]
pIC50 7.5 (IC50 3.5x10-8 M) [11]
Description: In an assay using whole human plasma and recombinant hPLA2-G7, that approximates the physiological environment of the enzyme.