Akt inhibitor IV

Ligand id: 5919

Name: Akt inhibitor IV

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 53.18
Molecular weight 487.2
XLogP 10.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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. Dunn EF, Fearns R, Connor JH. (2009)
Akt inhibitor Akt-IV blocks virus replication through an Akt-independent mechanism.
J. Virol., 83 (22): 11665-72. [PMID:19740993]
3. 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]
4. Kau TR, Schroeder F, Ramaswamy S, Wojciechowski CL, Zhao JJ, Roberts TM, Clardy J, Sellers WR, Silver PA. (2003)
A chemical genetic screen identifies inhibitors of regulated nuclear export of a Forkhead transcription factor in PTEN-deficient tumor cells.
Cancer Cell, 4 (6): 463-76. [PMID:14706338]
5. Sun Q, Wu R, Cai S, Lin Y, Sellers L, Sakamoto K, He B, Peterson BR. (2011)
Synthesis and biological evaluation of analogues of AKT (protein kinase B) inhibitor-IV.
J. Med. Chem., 54 (5): 1126-39. [PMID:21319800]