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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL3353464
Molecular formulaC25H31ClN2O3
IUPAC nameN-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-N-(2-methoxyethyl)-2-methylazetidine-2-carboxamide
Molecular weight442.984
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL11954533
BDBM50032314
Inchi KeyCCNMCOMJTSDNSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31ClN2O3/c1-18-13-19(2)15-21(14-18)16-23(29)28-10-9-25(28,3)24(30)27(11-12-31-4)17-20-5-7-22(26)8-6-20/h5-8,13-15H,9-12,16-17H2,1-4H3
PubChem CID68176091
ChEMBLCHEMBL3353464
IUPHARN/A
BindingDB50032314
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
443218Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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