Ligand id: 8400

Name: anacetrapib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 38.77
Molecular weight 637.17
XLogP 11.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Kastelein JJ, Besseling J, Shah S, Bergeron J, Langslet G, Hovingh GK, Al-Saady N, Koeijvoets M, Hunter J, Johnson-Levonas AO et al.. (2015)
Anacetrapib as lipid-modifying therapy in patients with heterozygous familial hypercholesterolaemia (REALIZE): a randomised, double-blind, placebo-controlled, phase 3 study.
Lancet, 385 (9983): 2153-61. [PMID:25743173]
2. Millar JS, Reyes-Soffer G, Jumes P, Dunbar RL, deGoma EM, Baer AL, Karmally W, Donovan DS, Rafeek H, Pollan L et al.. (2015)
Anacetrapib lowers LDL by increasing ApoB clearance in mildly hypercholesterolemic subjects.
J. Clin. Invest., 125 (6): 2510-2522. [PMID:25961461]
3. No authors listed. (2015)
Dyslipidaemia: Anacetrapib reduces LDL cholesterol in patients with heterozygous familial hypercholesterolaemia.
Nat Rev Cardiol, 12 (5): 261. [PMID:25824513]
4. Smith CJ, Ali A, Hammond ML, Li H, Lu Z, Napolitano J, Taylor GE, Thompson CF, Anderson MS, Chen Y et al.. (2011)
Biphenyl-substituted oxazolidinones as cholesteryl ester transfer protein inhibitors: modifications of the oxazolidinone ring leading to the discovery of anacetrapib.
J. Med. Chem., 54 (13): 4880-95. [PMID:21682257]