alsterpaullone 2-cyanoethyl

Ligand id: 5926

Name: alsterpaullone 2-cyanoethyl

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 111.82
Molecular weight 346.11
XLogP 2.94
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: 1,3

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
glycogen synthase kinase 3 alpha GSK3α/GSK3a Hs Inhibitor Inhibition 0.8 1.0 0.0
cyclin dependent kinase 5 CDK5-p35/CDK5-p35 Hs Inhibitor Inhibition 2.6 0.0 0.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 2.7 -3.0 0.0
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 2.9 0.0 1.0
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 5.8 -1.0 0.0
cyclin dependent kinase 6 CDK6-cyclin D3/CDK6-cyclin D1 Hs Inhibitor Inhibition 6.8 30.0 8.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 6.8
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 7.6
phosphorylase kinase catalytic subunit gamma 1 nd/PHKg1 Hs Inhibitor Inhibition 7.7
cyclin dependent kinase 1 CDK1-cyclin B/CDK1-cyclin B Hs Inhibitor Inhibition 9.9 3.0 0.0
Displaying the top 10 targets  View all targets in screen »