Ligand id: 6508

Name: emricasan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 150.9
Molecular weight 569.18
XLogP 3.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Linton SD, Aja T, Armstrong RA, Bai X, Chen LS, Chen N, Ching B, Contreras P, Diaz JL, Fisher CD et al.. (2005)
First-in-class pan caspase inhibitor developed for the treatment of liver disease.
J. Med. Chem., 48 (22): 6779-82. [PMID:16250635]