cenicriviroc

Ligand id: 801

Name: cenicriviroc

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 18
Topological polar surface area 104.9
Molecular weight 696.37
XLogP 7.75
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Baba M, Takashima K, Miyake H, Kanzaki N, Teshima K, Wang X, Shiraishi M, Iizawa Y. (2005)
TAK-652 inhibits CCR5-mediated human immunodeficiency virus type 1 infection in vitro and has favorable pharmacokinetics in humans.
Antimicrob Agents Chemother, 49: 4584-4591. [PMID:16251299]
2. Friedman SL, Ratziu V, Harrison SA, Abdelmalek MF, Aithal GP, Caballeria J, Francque S, Farrell G, Kowdley KV, Craxi A et al.. (2018)
A randomized, placebo-controlled trial of cenicriviroc for treatment of nonalcoholic steatohepatitis with fibrosis.
Hepatology, 67 (5): 1754-1767. [PMID:28833331]