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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

NameCHEMBL3353000
Molecular formulaC23H27ClN2O2
IUPAC nameN-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethylazetidine-2-carboxamide
Molecular weight398.931
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL15383315
BDBM50032308
Inchi KeyMBBVGWVPFHDCQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27ClN2O2/c1-16-11-17(2)13-19(12-16)14-21(27)26-10-9-23(26,3)22(28)25(4)15-18-5-7-20(24)8-6-18/h5-8,11-13H,9-10,14-15H2,1-4H3
PubChem CID89900321
ChEMBLCHEMBL3353000
IUPHARN/A
BindingDB50032308
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
449610Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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