Ligand id: 7367

Name: simeprevir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 193.51
Molecular weight 749.29
XLogP 3.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Used as part of a combination therapy in the treatment of chronic hepatitis in patients with HCV genotype 1.
Mechanism Of Action and Pharmacodynamic Effects
Inhibits the protease HCV NS3/4A which had the effect of inhibiting viral replication.
External links