JNK inhibitor V   Click here for help

GtoPdb Ligand ID: 5997

Synonyms: AS-601245 | AS601245 | SAPK inhibitor V
Compound class: Synthetic organic
Comment: This is compound 59 in [2].
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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 5
Topological polar surface area 74.49
Molecular weight 372.12
XLogP 2.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CC(=c1sc2c([nH]1)cccc2)c1ccnc(n1)NCCc1cccnc1
Isomeric SMILES N#C/C(=c/1\sc2c([nH]1)cccc2)/c1ccnc(n1)NCCc1cccnc1
InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,25H,7,10H2,(H,23,24,26)/b19-15+
InChI Key AVLYNJZZQYEFEA-XDJHFCHBSA-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: 1,3

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
glycogen synthase kinase 3 alpha GSK3α/GSK3a Hs Inhibitor Inhibition 2.4 1.0 -1.0
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 3.7 45.0 9.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 6.2 8.0 1.0
Pim-1 proto-oncogene, serine/threonine kinase Pim-1/PIM1 Hs Inhibitor Inhibition 11.6 15.0 3.0
muscle associated receptor tyrosine kinase MuSK/MUSK Hs Inhibitor Inhibition 14.8 90.0 50.0
casein kinase 2, alpha 1 polypeptide subunit CK2/CK2a Hs Inhibitor Inhibition 22.1 58.0 15.0
dual specificity tyrosine phosphorylation regulated kinase 2 DYRK2/DYRK2 Hs Inhibitor Inhibition 22.2 19.0 2.0
cyclin dependent kinase 9 CDK9-cyclin T1/CDK9-cyclin T1 Hs Inhibitor Inhibition 23.3 8.0 3.0
cyclin dependent kinase 9 nd/CDK9 cyclin K Hs Inhibitor Inhibition 26.6
casein kinase 2, alpha prime polypeptide subunit CK2α2/CK2a2 Hs Inhibitor Inhibition 27.1 41.0 15.0
Displaying the top 10 targets  View all targets in screen »