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

1. Blackie JA, Bloomer JC, Brown MJ, Cheng HY, Hammond B, Hickey DM, Ife RJ, Leach CA, Lewis VA, Macphee CH et al.. (2003)
The identification of clinical candidate SB-480848: a potent inhibitor of lipoprotein-associated phospholipase A2.
Bioorg. Med. Chem. Lett.13 (6): 1067-70. [PMID:12643913]
2. Wilensky RL, Macphee CH. (2009)
Lipoprotein-associated phospholipase A(2) and atherosclerosis.
Curr. Opin. Lipidol.20 (5): 415-20. [PMID:19667981]