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Ligand

NameCHEMBL3353472
Molecular formulaC25H30ClN3O3
IUPAC nameN-(3-amino-3-oxopropyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carboxamide
Molecular weight455.983
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50032323
SCHEMBL11954543
Inchi KeyHWZHNAOPOQCYSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30ClN3O3/c1-17-12-18(2)14-20(13-17)15-23(31)29-11-9-25(29,3)24(32)28(10-8-22(27)30)16-19-4-6-21(26)7-5-19/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,27,30)
PubChem CID68176100
ChEMBLCHEMBL3353472
IUPHARN/A
BindingDB50032323
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
446634Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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