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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

NameCHEMBL3353488
Molecular formulaC27H27ClN2O2
IUPAC nameN-[(4-chlorophenyl)methyl]-N,2-dimethyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
Molecular weight446.975
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.9
SynonymsSCHEMBL11954317
BDBM50032298
Inchi KeyDXADTEIDFFSVKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27ClN2O2/c1-27(26(32)29(2)19-21-10-14-24(28)15-11-21)16-17-30(27)25(31)18-20-8-12-23(13-9-20)22-6-4-3-5-7-22/h3-15H,16-19H2,1-2H3
PubChem CID68175950
ChEMBLCHEMBL3353488
IUPHARN/A
BindingDB50032298
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
444476Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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