Ligand id: 8401

Name: evacetrapib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 87.38
Molecular weight 638.28
XLogP 8.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Fernandez MC, Escribano A, Mateo AI, Parthasarathy S, Martin de la Nava EM, Wang X, Cockerham SL, Beyer TP, Schmidt RJ, Cao G et al.. (2012)
Design, synthesis and structure-activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors.
Bioorg. Med. Chem. Lett., 22 (9): 3056-62. [PMID:22497761]
2. Rader DJ, deGoma EM. (2014)
Future of cholesteryl ester transfer protein inhibitors.
Annu. Rev. Med., 65: 385-403. [PMID:24422575]
3. Sahebkar A, Chew GT, Watts GF. (2014)
Recent advances in pharmacotherapy for hypertriglyceridemia.
Prog. Lipid Res., 56: 47-66. [PMID:25083925]