JAK3 inhibitor II   

GtoPdb Ligand ID: 5993

Synonyms: WHI-P154
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 76.5
Molecular weight 375.02
XLogP 2.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Br)O
Isomeric SMILES COc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Br)O
InChI InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)
InChI Key CBIAKDAYHRWZCU-UHFFFAOYSA-N

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
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: 1,3

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
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 2.2 -4.0 -3.0
leukocyte receptor tyrosine kinase nd/TYK1(LTK) Hs Inhibitor Inhibition 5.4
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 6.3 49.0 2.0
tyrosine kinase non receptor 2 ACK1/ACK1 Hs Inhibitor Inhibition 10.5 14.0 1.0
ALK receptor tyrosine kinase ALK/ALK Hs Inhibitor Inhibition 12.5 19.0 3.0
serine/threonine kinase 10 LOK/LOK(STK10) Hs Inhibitor Inhibition 14.5 17.0 8.0
MAPK interacting serine/threonine kinase 2 Mnk2/MNK2 Hs Inhibitor Inhibition 18.0 10.0 6.0
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 20.1 18.0 1.0
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 21.4 23.0 1.0
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 28.9
Displaying the top 10 targets  View all targets in screen »