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Ligand

NameCHEMBL3353511
Molecular formulaC24H23ClN2O4S
IUPAC name4-(N-[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-4-chloroanilino)butanoic acid
Molecular weight470.968
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50032337
SCHEMBL11298436
Inchi KeyIGSRQBXJHSABCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN2O4S/c1-24(12-14-27(24)22(30)19-15-32-20-6-3-2-5-18(19)20)23(31)26(13-4-7-21(28)29)17-10-8-16(25)9-11-17/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3,(H,28,29)
PubChem CID70557795
ChEMBLCHEMBL3353511
IUPHARN/A
BindingDB50032337
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
446926Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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