A-395

Ligand id: 9525

Name: A-395

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 55.48
Molecular weight 486.25
XLogP 3.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. He Y, Selvaraju S, Curtin ML, Jakob CG, Zhu H, Comess KM, Shaw B, The J, Lima-Fernandes E, Szewczyk MM et al.. (2017)
The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol.13 (4): 389-395. [PMID:28135237]