aloisine A   

GtoPdb Ligand ID: 5924

Synonyms: RP107
Compound class: Synthetic organic
Comment: Aloisine A has inhibitory effect for several CDK and GSK kinases [3]. Please note that ChEMBL and DrugBank represent this compound at a tautomer of our structure.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 61.54
Molecular weight 267.14
XLogP 3.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2
Isomeric SMILES CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2
InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,17H,2-4H2,1H3,(H,18,19)
InChI Key AYIIQABSVDIZSY-UHFFFAOYSA-N

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
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 19.1 12.0 16.0
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 22.4 13.0 18.0
aurora kinase A Aurora-A/Aurora A Hs Inhibitor Inhibition 24.5 6.0 20.0
c-ros oncogene 1, receptor tyrosine kinase Ros/ROS(ROS1) Hs Inhibitor Inhibition 26.3 93.0 82.0
mitogen-activated protein kinase kinase kinase kinase 2 GCK/GCK(MAP4K2) Hs Inhibitor Inhibition 28.2 7.0 4.0
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 29.7 31.0 29.0
cyclin dependent kinase 2 CDK2/cyclin E Hs Inhibitor Inhibition 29.9
mitogen-activated protein kinase kinase kinase 11 nd/MLK3(MAP3K11) Hs Inhibitor Inhibition 32.5
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 32.7 9.0 13.0
serine/threonine kinase 11 LKB1/LKB1 Hs Inhibitor Inhibition 33.5 97.0 73.0
Displaying the top 10 targets  View all targets in screen »