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Ligand

NameCHEMBL3353469
Molecular formulaC25H30ClN3O3
IUPAC nameN-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]azetidine-2-carboxamide
Molecular weight455.983
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50032320
HDCSJRCBTWALPL-UHFFFAOYSA-N
1-[2-(3,5-dimethyl-phenyl)-acetyl]-2-methyl-azetidine-2-carboxylic acid (4-chloro-benzyl)-methylcarbamoylmethyl-amide
SCHEMBL11954537
Inchi KeyHDCSJRCBTWALPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30ClN3O3/c1-17-11-18(2)13-20(12-17)14-23(31)29-10-9-25(29,3)24(32)28(16-22(30)27-4)15-19-5-7-21(26)8-6-19/h5-8,11-13H,9-10,14-16H2,1-4H3,(H,27,30)
PubChem CID68176095
ChEMBLCHEMBL3353469
IUPHARN/A
BindingDB50032320
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
446111Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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