AG 112   Click here for help

GtoPdb Ligand ID: 5913

Synonyms: AG-112 | AG112 | tyrphostin A48 | tyrphostin AG 112
Compound class: Synthetic organic
Comment: AG 112 is a tyrphostin compound that acts as an inhibitor of the epidermal growth factor receptor (EGFR) tyrosine kinase. AG 112 is compound 48 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 117.62
Molecular weight 236.07
XLogP 0.67
No. Lipinski's rules broken 0
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Canonical SMILES N#CC(=Cc1ccc(cc1)O)C(=C(C#N)C#N)N
Isomeric SMILES N#C/C(=C\c1ccc(cc1)O)/C(=C(C#N)C#N)N
InChI InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen Click here for help
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

Reference: 1-2

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
polo like kinase 1 Plk1/PLK1 Hs Inhibitor Inhibition 60.8 79.0 36.0
polo like kinase 3 Plk3/PLK3 Hs Inhibitor Inhibition 63.6 79.0 27.0
unc-51 like kinase 3 ULK3/ULK3 Hs Inhibitor Inhibition 67.8 100.0 92.0
oxidative stress responsive kinase 1 nd/OSR1(OXSR1) Hs Inhibitor Inhibition 72.2
serine/threonine kinase 17a DRAK1/DRAK1(STK17A) Hs Inhibitor Inhibition 72.8 91.0 112.0
MAPK interacting serine/threonine kinase 1 nd/MNK1 Hs Inhibitor Inhibition 77.2
mitogen-activated protein kinase kinase kinase 3 nd/MEKK3 Hs Inhibitor Inhibition 78.6
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 78.7 109.0 106.0
MAPK interacting serine/threonine kinase 2 Mnk2/MNK2 Hs Inhibitor Inhibition 79.1 99.0 50.0
BMX non-receptor tyrosine kinase Bmx/BMX(ETK) Hs Inhibitor Inhibition 80.0 104.0 99.0
Displaying the top 10 targets  View all targets in screen »