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Ligand

NameMLS000058168
Molecular formulaC25H24N4O6
IUPAC name[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
Molecular weight476.489
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.3
Synonyms2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
2-(2-furyl)cinchoninic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester
2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-(furan-2-yl)quinoline-4-carboxylate
744210-88-6
AC1M1F4H
[ Show all ]
Inchi KeyABFGKTKVMVRAGW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
PubChem CID2094474
ChEMBLCHEMBL1374536
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
795Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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