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
Click here for structure editor
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
Classification
Compound class Synthetic organic
IUPAC Name
(5Z)-5-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
Synonyms
AS 604850 | PI 3-Kgamma inhibitor II | PI3Kgamma inhibitor
Database Links
CAS Registry No. 648449-76-7
ChEMBL Ligand CHEMBL1231533
GtoPdb PubChem SID 178102646
PubChem CID 5287855
RCSB PDB Ligand BYM
Search Google for chemical match using the InChIKey SRLVNYDXMUGOFI-YWEYNIOJSA-N
Search Google for chemicals with the same backbone SRLVNYDXMUGOFI
Search UniChem for chemical match using the InChIKey SRLVNYDXMUGOFI-YWEYNIOJSA-N
Search UniChem for chemicals with the same backbone SRLVNYDXMUGOFI
SynPHARM 80528 (in complex with phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma)