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Ligand

NameCHEMBL159838
Molecular formulaC29H38FN5O3S
IUPAC name2-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]-N-methyl-N-octylacetamide
Molecular weight555.713
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.8
SynonymsSCHEMBL7006040
N-Octyl-N-methyl-2-(4-fluorobenzylthio)-4-oxo-5-(2-ethoxy-5-pyrimidinylmethyl)-1,4-dihydropyrimidine-1-acetamide
Inchi KeyAMQRIPVPGGIHKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
PubChem CID17899988
ChEMBLN/A
IUPHARN/A
BindingDB50097703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517368Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
517365Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
517366Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
517367Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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