Ligand id: 9269

Name: BMX-IN-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 116.85
Molecular weight 524.15
XLogP 5.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Grey N et al.. (2014)
Bone marrow on x chromosome kinase (bmx) inhibitors and uses thereof.
Patent number: WO2014063054. Assignee: Dana-Farber Institute. Priority date: 19/10/2012. Publication date: 19/07/2014.
2. Liu F, Zhang X, Weisberg E, Chen S, Hur W, Wu H, Zhao Z, Wang W, Mao M, Cai C et al.. (2013)
Discovery of a selective irreversible BMX inhibitor for prostate cancer.
ACS Chem. Biol., 8 (7): 1423-8. [PMID:23594111]