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
Bioactivity Comments
Gazit et al (1989) published results describing inhibition of EGF receptor kinase activity by this compound [3]. The IC50 for substrate phosphorylation was reported as >1250μM and the Ki >400μM. The source of the EGFR used in the in vitro experiments appears to be human A413 cells.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
epidermal growth factor receptor Primary target of this compound Hs Inhibitor Inhibition <3.4 pKi - 3
pKi <3.4 (Ki >4x10-4 M) [3]
Description: Measuring phosphorylation of the EGFR exogenous substrate polyGAT [poly(Glu6Ala3Tyr)]