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Ligand

NameBDBM50306383
Molecular formulaC19H14N2O3S
IUPAC name4-hydroxy-5-[(4-isoquinolin-3-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
Molecular weight350.392
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
Synonyms5-(4-(isoquinolin-3-yloxy)benzyl)thiazolidine-2,4-dione
Inchi KeyACNDVDAOPITCDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14N2O3S/c22-18-16(25-19(23)21-18)9-12-5-7-15(8-6-12)24-17-10-13-3-1-2-4-14(13)11-20-17/h1-8,10-11,22H,9H2,(H,21,23)
PubChem CID91934038
ChEMBLN/A
IUPHARN/A
BindingDB50306383
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1710Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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