Ligand id: 8006

Name: BX-795

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 139.52
Molecular weight 591.09
XLogP 3.98
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Arnaiz D, Boemer U, Briem H, Bryant J, Buckman B, Eckle E, Esperling P, Feldman R, Huwe P, Khim S-K et al.. (2004)
Chk-, pdk- and akt-inhibitory pyrimidines, their production and use as pharmaceutical agents.
Patent number: WO2004048343. Assignee: Schering Ag. Priority date: 28/11/2002. Publication date: 10/06/2004.
2. Feldman RI, Wu JM, Polokoff MA, Kochanny MJ, Dinter H, Zhu D, Biroc SL, Alicke B, Bryant J, Yuan S et al.. (2005)
Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.
J. Biol. Chem., 280 (20): 19867-74. [PMID:15772071]
3. Hasan M, Yan N. (2016)
Therapeutic potential of targeting TBK1 in autoimmune diseases and interferonopathies.
Pharmacol. Res., 111: 336-42. [PMID:27353409]