AS-252424   Click here for help

GtoPdb Ligand ID: 10578

Synonyms: AS252424 | compound 26 [PMID: 16789742]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AS-252424 is an inhibitor of the lipid kinase PI3Kγ [1]. In cellular assays it is selective for class IB PI3K-mediated effects.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 104.84
Molecular weight 305.02
XLogP 1.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1SC(=Cc2ccc(o2)c2ccc(cc2O)F)C(=O)N1
Isomeric SMILES O=C1S/C(=C\c2ccc(o2)c2ccc(cc2O)F)/C(=O)N1
InChI InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
InChI Key OYYVWNDMOQPMGE-SDQBBNPISA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Hs Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.3x10-8 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Hs Inhibitor Inhibition 6.0 pIC50 - 1
pIC50 6.0 (IC50 9.35x10-7 M) [1]