CGP74514A

Ligand id: 5945

Name: CGP74514A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 93.68
Molecular weight 385.18
XLogP 3.19
No. Lipinski's rules broken 0

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. Imbach P, Capraro HG, Furet P, Mett H, Meyer T, Zimmermann J. (1999)
2,6,9-trisubstituted purines: optimization towards highly potent and selective CDK1 inhibitors.
Bioorg. Med. Chem. Lett.9 (1): 91-6. [PMID:9990463]