Syk inhibitor   Click here for help

GtoPdb Ligand ID: 6046

Synonyms: K00564a | spleen tyrosine kinase inhibitor
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is compound 2 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 102.57
Molecular weight 353.08
XLogP 1.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1Nc2c(C1=Cc1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N
Isomeric SMILES O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N
InChI InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
InChI Key MLKHXLFEYOOYEY-NVNXTCNLSA-N

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.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


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
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 1.2
checkpoint kinase 2 CHK2/CHK2 Hs Inhibitor Inhibition 1.3 4.0 1.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 1.6 1.0 -1.0
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 1.9 1.0 1.0
interleukin 1 receptor associated kinase 4 IRAK4/IRAK4 Hs Inhibitor Inhibition 3.0 0.0 -1.0
neurotrophic receptor tyrosine kinase 2 TrkB/TRKB Hs Inhibitor Inhibition 4.8 23.0 -12.0
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 5.9 18.0 11.0
neurotrophic receptor tyrosine kinase 1 TrkA/TRKA Hs Inhibitor Inhibition 6.1 1.0 1.0
ribosomal protein S6 kinase A6 Rsk4/RSK4 Hs Inhibitor Inhibition 6.6 21.0 10.0
ribosomal protein S6 kinase A2 Rsk3/RSK3 Hs Inhibitor Inhibition 9.3 4.0 0.0
Displaying the top 10 targets  View all targets in screen »