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Ligand

NameCHEMBL3353490
Molecular formulaC25H25ClN2O2S
IUPAC nameN-[(4-chlorophenyl)methyl]-N,2-dimethyl-1-[2-(3-thiophen-3-ylphenyl)acetyl]azetidine-2-carboxamide
Molecular weight452.997
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50032295
Inchi KeyBIJJHCROKDEVOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25ClN2O2S/c1-25(24(30)27(2)16-18-6-8-22(26)9-7-18)11-12-28(25)23(29)15-19-4-3-5-20(14-19)21-10-13-31-17-21/h3-10,13-14,17H,11-12,15-16H2,1-2H3
PubChem CID118719610
ChEMBLCHEMBL3353490
IUPHARN/A
BindingDB50032295
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
442626Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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