AS-252424   

GtoPdb Ligand ID: 10578

Synonyms: AS252424 | compound 26 [PMID: 16789742]
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.
2D Structure
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Physico-chemical Properties
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
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
Classification
Compound class Synthetic organic
IUPAC Name
(5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
Synonyms
AS252424 | compound 26 [PMID: 16789742]
Database Links
BindingDB Ligand 50189744
ChEMBL Ligand CHEMBL379156
GtoPdb PubChem SID 404859025
PubChem CID 11630874
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Tocris
AS 252424
Cat. No. 3671