HS-173   

GtoPdb Ligand ID: 8243

Compound class: Synthetic organic
Comment: HS-173 (as compound 19c) is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) α [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 111.04
Molecular weight 422.1
XLogP 3.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOC(=O)c1cnc2n1cc(cc2)c1cncc(c1)NS(=O)(=O)c1ccccc1
Isomeric SMILES CCOC(=O)c1cnc2n1cc(cc2)c1cncc(c1)NS(=O)(=O)c1ccccc1
InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3
InChI Key SEKOTFCHZNXZMM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
ethyl 6-[5-(benzenesulfonamido)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
Comments
HS-173 (as compound 19c) is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) α [1].
Database Links
CAS Registry No. 1276110-06-5
ChEMBL Ligand CHEMBL1765463
GtoPdb PubChem SID 249565923
PubChem CID 52936849
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