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Ligand

NameCHEMBL3806055
Molecular formulaC20H19N3O4S
IUPAC name3-[4-[[5-[(3-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methoxy]phenyl]propanoic acid
Molecular weight397.449
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50171855
Inchi KeyARDGJUQITBHNLR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N3O4S/c1-13-3-2-4-15(11-13)21-19(26)20-23-22-17(28-20)12-27-16-8-5-14(6-9-16)7-10-18(24)25/h2-6,8-9,11H,7,10,12H2,1H3,(H,21,26)(H,24,25)
PubChem CID127049161
ChEMBLCHEMBL3806055
IUPHARN/A
BindingDB50171855
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
521817Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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