Bcr-abl inhibitor GNF-2   Click here for help

GtoPdb Ligand ID: 5935

Synonyms: GNF 2 | GNF-2
PDB Ligand
Compound class: Synthetic organic
Comment: GNF-2 is a highly selective non-ATP competitive inhibitor of Bcr-Abl [1]. It acts as a negative allosteric modulator, binding to a site distant from the ATP pocket.
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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 6
Topological polar surface area 90.13
Molecular weight 374.1
XLogP 3.75
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F
Isomeric SMILES NC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F
InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)

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: 2-3

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
PDZ binding kinase nd/PBK(TOPK) Hs Inhibitor Inhibition 72.2
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 77.4 115.0 110.0
dual specificity tyrosine phosphorylation regulated kinase 2 DYRK2/DYRK2 Hs Inhibitor Inhibition 78.7 102.0 91.0
mitogen-activated protein kinase kinase kinase 2 nd/MEKK2 Hs Inhibitor Inhibition 79.5
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 80.1 93.0 65.0
beta adrenergic receptor kinase 2 nd/GRK3 Hs Inhibitor Inhibition 80.5
death associated protein kinase 1 DAPK1/DAPK1 Hs Inhibitor Inhibition 81.1 104.0 99.0
serine/threonine kinase 16 nd/STK16 Hs Inhibitor Inhibition 81.8
cyclin dependent kinase 9 CDK9-cyclin T1/CDK9-cyclin T1 Hs Inhibitor Inhibition 82.2 102.0 69.0
tyrosine kinase 2 nd/TYK2 Hs Inhibitor Inhibition 82.7
Displaying the top 10 targets  View all targets in screen »