GSK-3beta inhibitor VIII   Click here for help

GtoPdb Ligand ID: 5979

Synonyms: AR-A014418 | GSK-3b inhibitor VIII
PDB Ligand
Compound class: Synthetic organic
Comment: This is an experimental cell-permeable, ATP-competitive inhibitor of glycogen synthase kinase-3β (GSK-3β) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 134.63
Molecular weight 308.06
XLogP 1
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]
Isomeric SMILES COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]
InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)

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: 1,5

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 13.5 7.0 1.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 40.2 28.0 14.0
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 61.9 102.0 101.0
protein kinase C eta PKCη/PKCeta Hs Inhibitor Inhibition 64.1 93.0 76.0
protein kinase X-linked PrKX/PRKX Hs Inhibitor Inhibition 72.1 55.0 59.0
mitogen-activated protein kinase kinase 2 nd/MEK2 Hs Inhibitor Inhibition 73.5
NIMA related kinase 3 NEK3/NEK3 Hs Inhibitor Inhibition 78.6 74.0 96.0
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 82.8 79.0 81.0
cyclin dependent kinase 9 nd/CDK9 cyclin K Hs Inhibitor Inhibition 82.8
protein tyrosine kinase 2 beta Pyk2/PYK2 Hs Inhibitor Inhibition 83.1 72.0 77.0
Displaying the top 10 targets  View all targets in screen »