AG 9   Click here for help

GtoPdb Ligand ID: 5917

Synonyms: AG-9 | AG9 | tyrphostin 1 | tyrphostin A1
Compound class: Synthetic organic
Comment: This is compound 1 in [3].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 56.81
Molecular weight 184.06
XLogP 1.57
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1ccc(cc1)C=C(C#N)C#N
Isomeric SMILES COc1ccc(cc1)C=C(C#N)C#N
InChI InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3
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. Gazit A, Yaish P, Gilon C, Levitzki A. (1989)
Tyrphostins I: synthesis and biological activity of protein tyrosine kinase inhibitors.
J Med Chem, 32 (10): 2344-52. [PMID:2552117]