Akt inhibitor X

Ligand id: 5922

Name: Akt inhibitor X

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 15.71
Molecular weight 344.17
XLogP 5.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat. Biotechnol.29 (11): 1039-45. [PMID:22037377]
2. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem. J.451 (2): 313-28. [PMID:23398362]
3. Li W, Wan X, Zeng F, Xie Y, Wang Y, Zhang W, Li L and Huang N. (2014)
More than just a GPCR ligand: structure-based discovery of thioridazine derivatives as Pim-1 kinase inhibitors.
MedChemComm5: 507-511.
4. Thimmaiah KN, Easton JB, Germain GS, Morton CL, Kamath S, Buolamwini JK, Houghton PJ. (2005)
Identification of N10-substituted phenoxazines as potent and specific inhibitors of Akt signaling.
J. Biol. Chem.280 (36): 31924-35. [PMID:16009706]