Ligand id: 7535

Name: cobicistat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 24
Topological polar surface area 194.5
Molecular weight 775.35
XLogP 8.36
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Lepist EI, Phan TK, Roy A, Tong L, Maclennan K, Murray B, Ray AS. (2012)
Cobicistat boosts the intestinal absorption of transport substrates, including HIV protease inhibitors and GS-7340, in vitro.
Antimicrob. Agents Chemother., 56 (10): 5409-13. [PMID:22850510]
2. Mathias AA, German P, Murray BP, Wei L, Jain A, West S, Warren D, Hui J, Kearney BP. (2010)
Pharmacokinetics and pharmacodynamics of GS-9350: a novel pharmacokinetic enhancer without anti-HIV activity.
Clin. Pharmacol. Ther., 87 (3): 322-9. [PMID:20043009]
3. Xu L, Liu H, Murray BP, Callebaut C, Lee MS, Hong A, Strickley RG, Tsai LK, Stray KM, Wang Y et al.. (2010)
Cobicistat (GS-9350): A Potent and Selective Inhibitor of Human CYP3A as a Novel Pharmacoenhancer.
ACS Med Chem Lett, 1 (5): 209-13. [PMID:24900196]