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Ligand

NameMLS000045276
Molecular formulaC22H17N3O4
IUPAC nameN-(1,3-benzodioxol-5-yl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
Molecular weight387.395
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
SynonymsCHEMBL1544707
N-(1,3-benzodioxol-5-yl)-3-keto-2-(3-pyridylmethyl)isoindoline-4-carboxamide
ZINC4057130
HMS2337P18
N-(1,3-benzodioxol-5-yl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
[ Show all ]
Inchi KeyAAUFIERBXVEOEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17N3O4/c26-21(24-16-6-7-18-19(9-16)29-13-28-18)17-5-1-4-15-12-25(22(27)20(15)17)11-14-3-2-8-23-10-14/h1-10H,11-13H2,(H,24,26)
PubChem CID3239696
ChEMBLCHEMBL1544707
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
551Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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