PI 3-Kg inhibitor II   

GtoPdb Ligand ID: 6024

Synonyms: AS 604850 | PI 3-Kgamma inhibitor II | PI3Kgamma inhibitor
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 89.93
Molecular weight 284.99
XLogP 1.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1NC(=O)C(=Cc2ccc3c(c2)OC(O3)(F)F)S1
Isomeric SMILES O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(O3)(F)F)/S1
InChI InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-
InChI Key SRLVNYDXMUGOFI-YWEYNIOJSA-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: 1,3

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
casein kinase 2, alpha 1 polypeptide subunit CK2/CK2a Hs Inhibitor Inhibition 22.6 32.0 2.0
casein kinase 2, alpha prime polypeptide subunit CK2α2/CK2a2 Hs Inhibitor Inhibition 29.9 52.0 0.0
Pim-1 proto-oncogene, serine/threonine kinase Pim-1/PIM1 Hs Inhibitor Inhibition 35.9 37.0 5.0
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 39.8 88.0 41.0
muscle associated receptor tyrosine kinase MuSK/MUSK Hs Inhibitor Inhibition 70.9 110.0 89.0
ribosomal protein S6 kinase A1 Rsk1/RSK1 Hs Inhibitor Inhibition 71.1 125.0 65.0
NUAK family, SNF1-like kinase, 2 nd/SNARK(NUAK2) Hs Inhibitor Inhibition 74.8
casein kinase 1 gamma 1 CK1γ1/CK1g1 Hs Inhibitor Inhibition 75.5 95.0 94.0
PAS domain containing serine/threonine kinase PASK/PASK Hs Inhibitor Inhibition 78.2 81.0 37.0
NIMA related kinase 1 nd/NEK1 Hs Inhibitor Inhibition 79.6
Displaying the top 10 targets  View all targets in screen »