EGFR/ErbB-2/ErbB-4 inhibitor   Click here for help

GtoPdb Ligand ID: 5965

Synonyms: HDS 029
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 79.8
Molecular weight 355.06
XLogP 3.41
No. Lipinski's rules broken 0
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Canonical SMILES CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F
Isomeric SMILES CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F
InChI InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)

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
Janus kinase 3 JAK3/JAK3 Hs Inhibitor Inhibition -0.2 51.0 59.0
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 1.2 -4.0 -3.0
TXK tyrosine kinase Txk/TXK Hs Inhibitor Inhibition 1.7 52.0 14.0
erb-b2 receptor tyrosine kinase 4 ErbB4/ERBB4(HER4) Hs Inhibitor Inhibition 1.9 16.0 14.0
erb-b2 receptor tyrosine kinase 2 nd/ERBB2(HER2) Hs Inhibitor Inhibition 2.4
BMX non-receptor tyrosine kinase Bmx/BMX(ETK) Hs Inhibitor Inhibition 2.5 18.0 19.0
Bruton tyrosine kinase BTK/BTK Hs Inhibitor Inhibition 2.9 47.0 16.0
BLK proto-oncogene, Src family tyrosine kinase Blk/BLK Hs Inhibitor Inhibition 21.3 82.0 49.0
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 38.7 82.0 60.0
CDC like kinase 3 CLK3/CLK3 Hs Inhibitor Inhibition 47.1 83.0 125.0
Displaying the top 10 targets  View all targets in screen »