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Ligand

NameBDBM79952
Molecular formulaC20H20N2O6
IUPAC nameethyl 4-[(1-hydroxynaphthalene-2-carbonyl)oxymethyl]-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
Molecular weight384.388
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.4
Synonymsethyl 4-methyl-2-oxidanylidene-6-[(1-oxidanylnaphthalen-2-yl)carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
6-[(1-hydroxy-2-naphthoyl)oxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
ethyl 6-[(1-hydroxynaphthalene-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
6-[[(1-hydroxy-2-naphthalenyl)-oxomethoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
cid_25163569
Inchi KeyAERNAALFHASSPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20N2O6/c1-3-27-19(25)16-11(2)21-20(26)22-15(16)10-28-18(24)14-9-8-12-6-4-5-7-13(12)17(14)23/h4-9,11,16,23H,3,10H2,1-2H3,(H,21,26)
PubChem CID91898290
ChEMBLN/A
IUPHARN/A
BindingDB79952
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
3785Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425

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