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Ligand

NameMLS000103088
Molecular formulaC17H20N2OS
IUPAC name6-butylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Molecular weight300.42
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.2
Synonyms488827-24-3
AKOS016880672
MolPort-000-793-629
6-butylsulfanyl-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile
CHEMBL1570968
[ Show all ]
Inchi KeyAAFJMTJWSYZCLD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N2OS/c1-3-4-9-21-17-15(11-18)14(10-16(20)19-17)13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-10H2,1-2H3,(H,19,20)
PubChem CID3772589
ChEMBLCHEMBL1570968
IUPHARN/A
BindingDB37490
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
166Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
165Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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