Tpl2 kinase inhibitor   

GtoPdb Ligand ID: 6051

Compound class: Synthetic organic
Comment: Tpl2 is a synonym of the human MAP3K8 (mitogen-activated protein kinase kinase kinase 8) gene.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 86.52
Molecular weight 404.1
XLogP 3.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NCc1cccnc1
Isomeric SMILES N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NCc1cccnc1
InChI InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
InChI Key NMEUKWOOQOHUNA-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: 1-2

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
NIMA related kinase 1 nd/NEK1 Hs Inhibitor Inhibition 20.5
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 24.3 16.0 6.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 44.4
dual specificity tyrosine phosphorylation regulated kinase 1A nd/DYRK1(DYRK1A) Hs Inhibitor Inhibition 52.7
serine/threonine kinase 10 LOK/LOK(STK10) Hs Inhibitor Inhibition 52.8 96.0 93.0
muscle associated receptor tyrosine kinase MuSK/MUSK Hs Inhibitor Inhibition 55.6 93.0 60.0
NIMA related kinase 3 NEK3/NEK3 Hs Inhibitor Inhibition 56.0 37.0 46.0
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 61.7
CDC like kinase 4 nd/CLK4 Hs Inhibitor Inhibition 63.3
dual specificity tyrosine phosphorylation regulated kinase 1B nd/DYRK1B Hs Inhibitor Inhibition 65.2
Displaying the top 10 targets  View all targets in screen »