Ligand id: 7016

Name: BRD4770

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 73.22
Molecular weight 413.17
XLogP 8.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Kubicek S, O'Sullivan RJ, August EM, Hickey ER, Zhang Q, Teodoro ML, Rea S, Mechtler K, Kowalski JA, Homon CA et al.. (2007)
Reversal of H3K9me2 by a small-molecule inhibitor for the G9a histone methyltransferase.
Mol. Cell, 25 (3): 473-81. [PMID:17289593]
2. Yuan Y, Wang Q, Paulk J, Kubicek S, Kemp MM, Adams DJ, Shamji AF, Wagner BK, Schreiber SL. (2012)
A small-molecule probe of the histone methyltransferase G9a induces cellular senescence in pancreatic adenocarcinoma.
ACS Chem. Biol., 7 (7): 1152-7. [PMID:22536950]