aminopurvalanol A

Ligand id: 5927

Name: aminopurvalanol A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 113.91
Molecular weight 403.19
XLogP 2.51
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
cyclin dependent kinase 5 CDK5-p35/CDK5-p35 Hs Inhibitor Inhibition 0.1 20.0 2.0
neurotrophic receptor tyrosine kinase 2 TrkB/TRKB Hs Inhibitor Inhibition 3.0 10.0 1.0
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 3.3 13.0 1.0
SRC proto-oncogene, non-receptor tyrosine kinase cSrc/c-SRC Hs Inhibitor Inhibition 3.7 28.0 2.0
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 4.1 34.0 4.0
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 4.4
YES proto-oncogene 1, Src family tyrosine kinase Tes/YES(YES1) Hs Inhibitor Inhibition 7.0 5.0 0.0
mitogen-activated protein kinase kinase kinase 9 MLK1/MLK19MAP3K90 Hs Inhibitor Inhibition 7.8 7.0 1.0
cyclin dependent kinase 2 CDK2/cyclin E Hs Inhibitor Inhibition 8.0
fms related tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 8.4 12.0 2.0
Displaying the top 10 targets  View all targets in screen »