CGP53353   Click here for help

GtoPdb Ligand ID: 5163

Synonyms: CGP 53353 | CGP-53353 | PKCbII/EGFR Inhibitor
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 70.23
Molecular weight 365.1
XLogP 3.74
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F
Isomeric SMILES Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F
InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
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. Chalfant CE, Ohno S, Konno Y, Fisher AA, Bisnauth LD, Watson JE, Cooper DR. (1996)
A carboxy-terminal deletion mutant of protein kinase C beta II inhibits insulin-stimulated 2-deoxyglucose uptake in L6 rat skeletal muscle cells.
Mol Endocrinol, 10 (10): 1273-81. [PMID:9121494]
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]