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Ligand

NameCHEMBL3353531
Molecular formulaC26H27ClN2O4S
IUPAC name4-[[1-[2-(1-benzothiophen-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid
Molecular weight499.022
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50032377
SCHEMBL11298474
Inchi KeyAVIYBXPJOAMIDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27ClN2O4S/c1-26(11-13-29(26)23(30)15-19-17-34-22-9-3-2-8-21(19)22)25(33)28(12-5-10-24(31)32)16-18-6-4-7-20(27)14-18/h2-4,6-9,14,17H,5,10-13,15-16H2,1H3,(H,31,32)
PubChem CID70557810
ChEMBLCHEMBL3353531
IUPHARN/A
BindingDB50032377
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
442252Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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