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Ligand

NameSMR000020474
Molecular formulaC22H20N4O6
IUPAC name3-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
Molecular weight436.424
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.9
Synonyms3-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
3-{4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-3,4-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
AC1MMVL5
BRD-K91117991-001-01-6
CCG-25017
[ Show all ]
Inchi KeyAEWZLQMPHQVZPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N4O6/c1-31-18-9-7-13(11-19(18)32-2)17(27)12-25-21(30)15(8-10-20(28)29)24-26-16-6-4-3-5-14(16)23-22(25)26/h3-7,9,11H,8,10,12H2,1-2H3,(H,28,29)
PubChem CID3245113
ChEMBLCHEMBL1609563
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
463359Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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