compound 4 [PMID: 24432870]

Ligand id: 8941

Name: compound 4 [PMID: 24432870]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 122.97
Molecular weight 324.13
XLogP 0.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Karpov AS, Amiri P, Bellamacina C, Bellance MH, Breitenstein W, Daniel D, Denay R, Fabbro D, Fernandez C, Galuba I et al.. (2015)
Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ACS Med Chem Lett6 (7): 776-81. [PMID:26191365]
2. Staben ST, Feng JA, Lyle K, Belvin M, Boggs J, Burch JD, Chua CC, Cui H, DiPasquale AG, Friedman LS et al.. (2014)
Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.
J. Med. Chem.57 (3): 1033-45. [PMID:24432870]