Src kinase inhibitor I   Click here for help

GtoPdb Ligand ID: 6042

PDB Ligand
Compound class: Synthetic organic
Comment: This compound is used as a Src inhibitor, but it also has potent inhibitory action against the serine/threonine kinase RIPK2 ( receptor-interacting serine-threonine kinase 2) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 65.5
Molecular weight 373.14
XLogP 4.07
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)Oc1ccccc1
Isomeric SMILES COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)Oc1ccccc1
InChI InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)

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: 1,3

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
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 0.0 7.0 4.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 3.2 39.0 11.0
LCK proto-oncogene, Src family tyrosine kinase Lck/LCK Hs Inhibitor Inhibition 4.7 0.0 -1.0
YES proto-oncogene 1, Src family tyrosine kinase Tes/YES(YES1) Hs Inhibitor Inhibition 8.0 9.0 4.0
erb-b2 receptor tyrosine kinase 4 ErbB4/ERBB4(HER4) Hs Inhibitor Inhibition 8.8 -3.0 -5.0
FGR proto-oncogene, Src family tyrosine kinase Fgr/FGR Hs Inhibitor Inhibition 8.9 7.0 2.0
BLK proto-oncogene, Src family tyrosine kinase Blk/BLK Hs Inhibitor Inhibition 9.9 0.0 0.0
HCK proto-oncogene, Src family tyrosine kinase Hck/HCK Hs Inhibitor Inhibition 13.5 4.0 5.0
C-terminal Src kinase CSK/CSK Hs Inhibitor Inhibition 18.8 12.0 3.0
LYN proto-oncogene, Src family tyrosine kinase Lyn/LYN Hs Inhibitor Inhibition 21.6 1.0 1.0
Displaying the top 10 targets  View all targets in screen »