SU9516   Click here for help

GtoPdb Ligand ID: 6045

Synonyms: AC1NRD9P | SU-9516
PDB Ligand
Compound class: Synthetic organic
Comment: SU9516 is a potent inhibitor of several cyclin-dependent kinases (CDKs) with reported selectivity for CDK2 [4]. Later analysis of SU9516's selectivity profile indicates a similar level of potency as an inhibitor of CDK5/p25 compared to CDK2 [3]. Inhibition of CDK5 was confirmed in a cellular assay measuring dephosphorylation of pFAK(S732). SU9516 also arrests cells at the G2/M phase in cells lacking CDK2, in which case it must be causing the cell cycle arrest via inhibition of CDK1 [3].
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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 2
Topological polar surface area 67.01
Molecular weight 241.09
XLogP 0.97
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2
Isomeric SMILES COc1ccc2c(c1)/C(=C/c1cnc[nH]1)/C(=O)N2
InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-

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: 1-2

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
cyclin dependent kinase 5 CDK5-p35/CDK5-p35 Hs Inhibitor Inhibition -0.4 0.0 0.0
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 4.5 0.0 0.0
serine/threonine kinase 4 MST1/MST1(STK4) Hs Inhibitor Inhibition 5.7 9.0 -2.0
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 8.2 5.0 1.0
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 8.9 17.0 8.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 9.3 10.0 0.0
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 9.3
serine/threonine kinase 3 MST2/MST2(STK3) Hs Inhibitor Inhibition 12.2 16.0 3.0
cyclin dependent kinase 6 CDK6-cyclin D3/CDK6-cyclin D1 Hs Inhibitor Inhibition 13.3 51.0 9.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 19.4
Displaying the top 10 targets  View all targets in screen »