CGP74514A   Click here for help

GtoPdb Ligand ID: 5945

Synonyms: CGP 74514A | CGP-74514A
PDB Ligand
Compound class: Synthetic organic
Comment: CGP74514A was originally reported as a CDK1 inhibitor [3], however later studies have identified more potent inhibitory activity against CDK2 and CDK5 and at least some inhibition of CDKs 4, 7 and 9 [4]. This latter experimental evidence suggests that researchers should consider CGP74514A as a pan-CDK inhibitor, in acknowledgement of its promiscuous selectivity profile.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 93.68
Molecular weight 385.18
XLogP 3.94
No. Lipinski's rules broken 0
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Canonical SMILES CCn1cnc2c1nc(NC1CCCCC1N)nc2Nc1cccc(c1)Cl
Isomeric SMILES CCn1cnc2c1nc(N[C@@H]1CCCC[C@@H]1N)nc2Nc1cccc(c1)Cl
InChI InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1

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-p25/CDK5-p25 Hs Inhibitor Inhibition 5.2 1.0 0.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 12.7 18.0 1.0
cyclin dependent kinase 5 CDK5-p35/CDK5-p35 Hs Inhibitor Inhibition 13.2 0.0 -1.0
cyclin dependent kinase 1 CDK1-cyclin B/CDK1-cyclin B Hs Inhibitor Inhibition 16.4 19.0 4.0
cyclin dependent kinase 2 CDK2/cyclin E Hs Inhibitor Inhibition 16.8
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 23.4
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 23.6 8.0 0.0
CDC like kinase 2 CLK2/CLK2 Hs Inhibitor Inhibition 26.6 10.0 4.0
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 34.7 57.0 13.0
YES proto-oncogene 1, Src family tyrosine kinase Tes/YES(YES1) Hs Inhibitor Inhibition 35.4 7.0 1.0
Displaying the top 10 targets  View all targets in screen »