PDK1/Akt/Flt dual pathway inhibitor   

GtoPdb Ligand ID: 6022

Synonyms: AG-L-66494 | GNF-Pf-3800
Compound class: Synthetic organic
Comment: This compound is a mixture of tautomers (KP372-1A and KP372-1B), present in almost equal amounts. Our image shows the structure of KP372-1B.
This compound has been shown to directly inhibit both PDK1 and Akt activities in in vitro kinase assays in a dose-dependent manner and block cellular phosphorylation of Akt at both Ser473 and Thr308 residues [6].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 85.93
Molecular weight 224.04
XLogP 1.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1c2nn3nnnc3nc2c2c1cccc2
Isomeric SMILES O=C1c2nn3nnnc3nc2c2c1cccc2
InChI InChI=1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h1-4H
InChI Key DPANHMGWPXVBQI-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
kinase insert domain receptor KDR/KDR(VEGFR2) Hs Inhibitor Inhibition 1.9 109.0 104.0
tec protein tyrosine kinase nd/TEC Hs Inhibitor Inhibition 2.4
fms related receptor tyrosine kinase 1 Flt1/FLT1(VEGFR1) Hs Inhibitor Inhibition 3.1 115.0 89.0
TEK receptor tyrosine kinase Tie2/TIE2(TEK) Hs Inhibitor Inhibition 4.3 75.0 20.0
fms related receptor tyrosine kinase 4 Flt4/FLT4 Hs Inhibitor Inhibition 5.8 98.0 70.0
src-related kinase lacking C-terminal regulatory tyrosine and N-terminal myristylation sites nd/SRMS Hs Inhibitor Inhibition 6.3
cyclin dependent kinase 6 nd/CDK6-cyclin D3 Hs Inhibitor Inhibition 9.9
AXL receptor tyrosine kinase Axl/AXL Hs Inhibitor Inhibition 10.3 81.0 42.0
platelet derived growth factor receptor beta PDGFRβ/PDGFRb Hs Inhibitor Inhibition 11.4 120.0 111.0
colony stimulating factor 1 receptor Fms/FMS Hs Inhibitor Inhibition 11.6 78.0 92.0
Displaying the top 10 targets  View all targets in screen »