MK2a inhibitor   Click here for help

GtoPdb Ligand ID: 6009

Synonyms: CMPD1 | MAPKAPK2a inhibitor
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 49.33
Molecular weight 349.15
XLogP 5.24
No. Lipinski's rules broken 1
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Canonical SMILES O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F
Isomeric SMILES O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F
InChI InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)

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
mitogen-activated protein kinase 1 MAPK2/ERK2(MAPK1) Hs Inhibitor Inhibition 69.9 106.0 92.0
casein kinase 2, alpha prime polypeptide subunit CK2α2/CK2a2 Hs Inhibitor Inhibition 78.7 106.0 102.0
mitogen-activated protein kinase 11 SAPK2b/P38b(MAPK11) Hs Inhibitor Inhibition 79.7 105.0 95.0
WEE1 G2 checkpoint kinase nd/WEE1 Hs Inhibitor Inhibition 83.7
protein kinase C eta PKCη/PKCeta Hs Inhibitor Inhibition 84.0 110.0 114.0
tousled like kinase 2 TLK2/TLK2 Hs Inhibitor Inhibition 84.1 103.0 95.0
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 84.5 94.0 95.0
IL2 inducible T cell kinase Itk/ITK Hs Inhibitor Inhibition 85.0 90.0 98.0
tec protein tyrosine kinase nd/TEC Hs Inhibitor Inhibition 86.0
interleukin 1 receptor associated kinase 4 IRAK4/IRAK4 Hs Inhibitor Inhibition 86.3 93.0 82.0
Displaying the top 10 targets  View all targets in screen »