p38 MAP kinase inhibitor   Click here for help

GtoPdb Ligand ID: 6013

Synonyms: compound 6 [PMID: 9873604] [2]
Compound class: Synthetic organic
Comment: Please note that ChEMBL represents this compound as a tautomer of our structure.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.16
Molecular weight 365.07
XLogP 5.05
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1
Isomeric SMILES Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1
InChI InChI=1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H

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 9 JNK2α2/JNK2 Hs Inhibitor Inhibition 6.1 7.0 -10.0
mitogen-activated protein kinase 14 SAPK2a/P38a(MAPK14) Hs Inhibitor Inhibition 11.2 3.0 0.0
nemo like kinase NLK/NLK Hs Inhibitor Inhibition 16.0 42.0 12.0
casein kinase 1 delta CK1δ/CK1d Hs Inhibitor Inhibition 26.7 44.0 5.0
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 35.0
A-Raf proto-oncogene, serine/threonine kinase nd/ARAF Hs Inhibitor Inhibition 49.8
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 50.2 47.0 19.0
mitogen-activated protein kinase 11 SAPK2b/P38b(MAPK11) Hs Inhibitor Inhibition 55.9 23.0 5.0
EPH receptor A6 nd/EPHA6 Hs Inhibitor Inhibition 57.0
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 57.5 59.0 7.0
Displaying the top 10 targets  View all targets in screen »