aloisine

Ligand id: 5923

Name: aloisine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 50.8
Molecular weight 281.15
XLogP 4.06
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
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 25.0 15.0 22.0
aurora kinase A Aurora-A/Aurora A Hs Inhibitor Inhibition 25.5 9.0 13.0
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 30.4 37.0 46.0
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 36.3 48.0 25.0
c-ros oncogene 1, receptor tyrosine kinase Ros/ROS(ROS1) Hs Inhibitor Inhibition 37.5 96.0 88.0
colony stimulating factor 1 receptor Fms/FMS Hs Inhibitor Inhibition 37.7 14.0 8.0
tyrosine kinase 2 nd/TYK2 Hs Inhibitor Inhibition 38.8
mitogen-activated protein kinase kinase kinase 11 nd/MLK3(MAP3K11) Hs Inhibitor Inhibition 39.4
mitogen-activated protein kinase kinase kinase 9 MLK1/MLK19MAP3K90 Hs Inhibitor Inhibition 39.8 16.0 19.0
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 41.3 19.0 33.0
Displaying the top 10 targets  View all targets in screen »