Ligand id: 8007

Name: BX-912

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 110.86
Molecular weight 470.12
XLogP 2.6
No. Lipinski's rules broken 0

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. Hanada M, Feng J, Hemmings BA. (2004)
Structure, regulation and function of PKB/AKT--a major therapeutic target.
Biochim. Biophys. Acta, 1697 (1-2): 3-16. [PMID:15023346]
4. Shiojima I, Walsh K. (2002)
Role of Akt signaling in vascular homeostasis and angiogenesis.
Circ. Res., 90 (12): 1243-50. [PMID:12089061]