isogranulatimide   Click here for help

GtoPdb Ligand ID: 5991

Synonyms: IZA | pyridone 6
Compound class: Synthetic organic
Comment: Isogranulatimide inhibits the enzymatic activity of Chk1 and GSK-3β tyrosine kinases [5-6]. It is an ATP-competitive inhibitor with potent and reversible activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 83.02
Molecular weight 276.06
XLogP 3.28
No. Lipinski's rules broken 0
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Canonical SMILES O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1
Isomeric SMILES O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1
InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)

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: 1,4

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
Pim-1 proto-oncogene, serine/threonine kinase Pim-1/PIM1 Hs Inhibitor Inhibition 1.4 6.0 2.0
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 4.5 14.0 17.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 9.9 18.0 5.0
glycogen synthase kinase 3 alpha GSK3α/GSK3a Hs Inhibitor Inhibition 10.4 7.0 4.0
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 12.1 15.0 13.0
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 13.5
myosin light chain kinase MLCK/MLCK(MYLK) Hs Inhibitor Inhibition 15.5 11.0 8.0
casein kinase 1 delta CK1δ/CK1d Hs Inhibitor Inhibition 17.2 15.0 9.0
Insulin receptor IR/IR Hs Inhibitor Inhibition 17.9 10.0 15.0
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 18.9
Displaying the top 10 targets  View all targets in screen »