Ligand id: 8950

Name: BI-9564

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 54.9
Molecular weight 353.17
XLogP 1.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Karim RM, Schönbrunn E. (2016)
An Advanced Tool To Interrogate BRD9.
J. Med. Chem., 59 (10): 4459-61. [PMID:27120693]
2. Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D et al.. (2016)
Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J. Med. Chem., 59 (10): 4462-75. [PMID:26914985]
3. Structural Genomics Consortium. 
BI-9564 A chemical probe for BRD9 and BRD7.
Accessed on 11/12/2015. Modified on 11/12/2015. The Structural Genomics Consortium,