alsterpaullone

Ligand id: 5925

Name: alsterpaullone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 88.03
Molecular weight 293.08
XLogP 3.24
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
glycogen synthase kinase 3 alpha GSK3α/GSK3a Hs Inhibitor Inhibition 1.0 1.0 2.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 2.7 -1.0 3.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 4.5
checkpoint kinase 2 CHK2/CHK2 Hs Inhibitor Inhibition 7.9 3.0 1.0
cyclin dependent kinase 5 CDK5-p35/CDK5-p35 Hs Inhibitor Inhibition 8.0 6.0 6.0
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 8.4 14.0 10.0
mitogen-activated protein kinase kinase kinase kinase 2 GCK/GCK(MAP4K2) Hs Inhibitor Inhibition 8.8 2.0 5.0
phosphorylase kinase catalytic subunit gamma 1 nd/PHKg1 Hs Inhibitor Inhibition 9.2
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 10.5 9.0 6.0
mitogen-activated protein kinase kinase kinase 9 MLK1/MLK19MAP3K90 Hs Inhibitor Inhibition 10.5 7.0 5.0
Displaying the top 10 targets  View all targets in screen »