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
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Hs Inhibitor Inhibition 6.6 pIC50 - 2
pIC50 6.6 (IC50 2.5x10-7 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Hs Inhibitor Inhibition 5.3 pIC50 - 2
pIC50 5.3 (IC50 4.5x10-6 M) [2]