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Ligand

NameMLS000521189
Molecular formulaC21H20FNO4S
IUPAC name5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
Molecular weight401.452
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
Synonyms5-[(2-fluorophenyl)methylsulfonylmethyl]-N-phenethylfuran-2-carboxamide
CHEMBL1700180
ZINC3055515
AC1MSE59
EU-0064996
[ Show all ]
Inchi KeyCHYXIBROVMUMRJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24)
PubChem CID3582921
ChEMBLCHEMBL1700180
IUPHARN/A
BindingDB96610
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
42435Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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