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Ligand

NameTUG-424
Molecular formulaC18H16O2
IUPAC name3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid
Molecular weight264.324
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
Synonyms1082058-99-8
3-(4-(o-Tolylethynyl)phenyl)propanoic acid
3-[4-[(2-Methylphenyl)ethynyl]phenyl]propanoic acid
3-{4-[(2-Methylphenyl)ethynyl]phenyl}propanoic acid
3-{4-[2-(2-methylphenyl)ethynyl]phenyl}propanoic acid
[ Show all ]
Inchi KeyFODHWOBAQBTTFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
PubChem CID25150014
ChEMBLCHEMBL449588
IUPHAR3952
BindingDB50275597
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
83173Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
83174Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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