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Ligand

NameSMR000020966
Molecular formulaC22H21N3O4S
IUPAC name2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Molecular weight423.487
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
Synonyms2-[3-Cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-oxo-1,4,5,6-tetrahydro-pyridin-2-yls
AC1MJCUZ
ChemDiv1_018231
Oprea1_145867
Oprea1_342574
[ Show all ]
Inchi KeyACQANESRNJDMRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N3O4S/c1-13-5-3-4-6-17(13)24-21(28)12-30-22-16(11-23)15(10-20(27)25-22)14-7-8-18(26)19(9-14)29-2/h3-9,15,26H,10,12H2,1-2H3,(H,24,28)(H,25,27)
PubChem CID3135447
ChEMBLCHEMBL1391298
IUPHARN/A
BindingDBN/A
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
1779Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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