Ligand id: 8914

Name: CC-223

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 100.47
Molecular weight 397.21
XLogP 1.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mortensen DS, Perrin-Ninkovic SM, Harris R, Lee BG, Shevlin G, Hickman M, Khambatta G, Bisonette RR, Fultz KE, Sankar S. (2011)
Discovery and SAR exploration of a novel series of imidazo[4,5-b]pyrazin-2-ones as potent and selective mTOR kinase inhibitors.
Bioorg. Med. Chem. Lett., 21 (22): 6793-9. [PMID:21978683]
2. Mortensen DS, Perrin-Ninkovic SM, Shevlin G, Zhao J, Packard G, Bahmanyar S, Correa M, Elsner J, Harris R, Lee BG et al.. (2015)
Discovery of mammalian target of rapamycin (mTOR) kinase inhibitor CC-223.
J. Med. Chem., 58 (13): 5323-33. [PMID:26083478]