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Ligand

NameMLS001157659
Molecular formulaC21H19N3O4S
IUPAC name2-(2,4-dimethylphenyl)sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]pyridine-3-carboxamide
Molecular weight409.46
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.8
SynonymsMCULE-6306224600
2-[(2,4-dimethylphenyl)sulfanyl]-N-[(2-hydroxy-5-nitrophenyl)methyl]pyridine-3-carboxamide
SMR000688105
CHEMBL1345299
AKOS016861790
[ Show all ]
Inchi KeyACTUUSGCSMQRFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19N3O4S/c1-13-5-8-19(14(2)10-13)29-21-17(4-3-9-22-21)20(26)23-12-15-11-16(24(27)28)6-7-18(15)25/h3-11,25H,12H2,1-2H3,(H,23,26)
PubChem CID24818304
ChEMBLCHEMBL1345299
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
1902Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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