CGP74514A

Ligand id: 5945

Name: CGP74514A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 93.68
Molecular weight 385.18
XLogP 3.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
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.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


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 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 »