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Ligand

NameSMR000130791
Molecular formulaC23H24FN3O2S
IUPAC name1-ethyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
Molecular weight425.522
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.3
SynonymsNCGC00110204-01
HMS2384L12
ZINC8598692
MLS002587530
AKOS001812602
[ Show all ]
Inchi KeyAIIDDUSHZYSFHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24FN3O2S/c1-2-27-19-9-5-3-7-17(19)21(15-22(27)28)30-16-23(29)26-13-11-25(12-14-26)20-10-6-4-8-18(20)24/h3-10,15H,2,11-14,16H2,1H3
PubChem CID9551253
ChEMBLCHEMBL1485988
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6235Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
6236Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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