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Ligand

NameCHEMBL3353476
Molecular formulaC26H28ClN3O3S
IUPAC nameN-(2-acetamidoethyl)-1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
Molecular weight498.038
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50032327
Inchi KeyLGZNBHBKQBAGHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28ClN3O3S/c1-18(31)28-12-14-29(16-19-7-9-21(27)10-8-19)25(33)26(2)11-13-30(26)24(32)15-20-17-34-23-6-4-3-5-22(20)23/h3-10,17H,11-16H2,1-2H3,(H,28,31)
PubChem CID118719609
ChEMBLCHEMBL3353476
IUPHARN/A
BindingDB50032327
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
449054Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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