AG1478   

GtoPdb Ligand ID: 4862

Synonyms: AG 1478 | AG-1478 | tyrphostin AG1478
Compound class: Synthetic organic
Comment: Tyrphostin AG 1478 is a selective inhibitor of the EGFR tyrosine kinase. It is compound 4 in [3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 56.27
Molecular weight 315.08
XLogP 3.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl
Isomeric SMILES COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl
InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChI Key GFNNBHLJANVSQV-UHFFFAOYSA-N
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 Hs Inhibitor Inhibition 8.2 pIC50 - 3
pIC50 8.2 (IC50 6x10-9 M) [3]
Ligand mentioned in the following text fields