ET bromodomain inhibitor

Ligand id: 7808

Name: ET bromodomain inhibitor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 78.6
Molecular weight 438.15
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Baud MG, Lin-Shiao E, Cardote T, Tallant C, Pschibul A, Chan KH, Zengerle M, Garcia JR, Kwan TT, Ferguson FM et al.. (2014)
A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science,  [Epub ahead of print]. [PMID:25323695]