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Ligand

NameCHEMBL3353512
Molecular formulaC24H23ClN2O4S
IUPAC name4-(N-[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-3-chloroanilino)butanoic acid
Molecular weight470.968
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50032338
SCHEMBL11295585
Inchi KeyLNDXMENNSDMEHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN2O4S/c1-24(11-13-27(24)22(30)19-15-32-20-9-3-2-8-18(19)20)23(31)26(12-5-10-21(28)29)17-7-4-6-16(25)14-17/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,28,29)
PubChem CID70556905
ChEMBLCHEMBL3353512
IUPHARN/A
BindingDB50032338
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
449223Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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