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Ligand

Name5-(4-fluorophenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
Molecular formulaC18H12FN3O4S2
IUPAC name2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Molecular weight417.429
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.7
Synonyms(4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
CHEMBL1344160
874129-08-5
MolPort-000-522-231
AKOS016310152
[ Show all ]
Inchi KeyAFBCHFOZLYMPJU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H12FN3O4S2/c1-27-18-21-20-17(28-18)22-13(9-4-6-10(19)7-5-9)12(15(24)16(22)25)14(23)11-3-2-8-26-11/h2-8,13,24H,1H3
PubChem CID16445815
ChEMBLCHEMBL1344160
IUPHARN/A
BindingDBN/A
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
4011Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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