Lck inhibitor   Click here for help

GtoPdb Ligand ID: 6003

PDB Ligand
Compound class: Synthetic organic
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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 4
Topological polar surface area 65.96
Molecular weight 370.18
XLogP 5.42
No. Lipinski's rules broken 1
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Canonical SMILES Nc1ncnc2c1c(cn2C1CCCC1)c1ccc(cc1)Oc1ccccc1
Isomeric SMILES Nc1ncnc2c1c(cn2C1CCCC1)c1ccc(cc1)Oc1ccccc1
InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)

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
YES proto-oncogene 1, Src family tyrosine kinase Tes/YES(YES1) Hs Inhibitor Inhibition 0.7 0.0 0.0
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 0.8 0.0 -1.0
LCK proto-oncogene, Src family tyrosine kinase Lck/LCK Hs Inhibitor Inhibition 1.1 1.0 -1.0
BLK proto-oncogene, Src family tyrosine kinase Blk/BLK Hs Inhibitor Inhibition 1.5 0.0 0.0
HCK proto-oncogene, Src family tyrosine kinase Hck/HCK Hs Inhibitor Inhibition 2.2 2.0 1.0
tyrosine kinase non receptor 2 ACK1/ACK1 Hs Inhibitor Inhibition 2.7 4.0 1.0
FGR proto-oncogene, Src family tyrosine kinase Fgr/FGR Hs Inhibitor Inhibition 2.9 2.0 0.0
C-terminal Src kinase CSK/CSK Hs Inhibitor Inhibition 3.4 0.0 -1.0
LYN proto-oncogene, Src family tyrosine kinase Lyn/LYN Hs Inhibitor Inhibition 3.5 0.0 1.0
FYN proto-oncogene, Src family tyrosine kinase Fyn/FYN Hs Inhibitor Inhibition 3.5 0.0 0.0
Displaying the top 10 targets  View all targets in screen »