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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

NameCHEMBL3353465
Molecular formulaC24H22ClN3O2S
IUPAC name1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-N-(cyanomethyl)-2-methylazetidine-2-carboxamide
Molecular weight451.969
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL15383341
BDBM50032316
Inchi KeyDAIZIRSKYHMHLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22ClN3O2S/c1-24(23(30)27(13-11-26)15-17-6-8-19(25)9-7-17)10-12-28(24)22(29)14-18-16-31-21-5-3-2-4-20(18)21/h2-9,16H,10,12-15H2,1H3
PubChem CID89900347
ChEMBLCHEMBL3353465
IUPHARN/A
BindingDB50032316
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
443888Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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