Ligand id: 7889

Name: entospletinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 83.37
Molecular weight 411.18
XLogP 3.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Currie KS, Kropf JE, Lee T, Blomgren P, Xu J, Zhao Z, Gallion S, Whitney JA, Maclin D, Lansdon EB et al.. (2014)
Discovery of GS-9973, a selective and orally efficacious inhibitor of spleen tyrosine kinase.
J. Med. Chem., 57 (9): 3856-73. [PMID:24779514]