Ligand id: 8204

Name: A-443654

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 92.61
Molecular weight 397.19
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Han EK, Leverson JD, McGonigal T, Shah OJ, Woods KW, Hunter T, Giranda VL, Luo Y. (2007)
Akt inhibitor A-443654 induces rapid Akt Ser-473 phosphorylation independent of mTORC1 inhibition.
Oncogene, 26 (38): 5655-61. [PMID:17334390]
2. Luo Y, Shoemaker AR, Liu X, Woods KW, Thomas SA, de Jong R, Han EK, Li T, Stoll VS, Powlas JA et al.. (2005)
Potent and selective inhibitors of Akt kinases slow the progress of tumors in vivo.
Mol. Cancer Ther., 4 (6): 977-86. [PMID:15956255]
3. Okuzumi T, Fiedler D, Zhang C, Gray DC, Aizenstein B, Hoffman R, Shokat KM. (2009)
Inhibitor hijacking of Akt activation.
Nat. Chem. Biol., 5 (7): 484-93. [PMID:19465931]