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Ligand

NameCHEMBL72949
Molecular formulaC34H46FN7O4S
IUPAC name2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxopyrimidin-5-yl]methyl]-4-oxopyrimidin-1-yl]-N-methyl-N-octylacetamide
Molecular weight667.845
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
SynonymsN-Octyl-N-methyl-2-(4-fluorobenzylthio)-4-oxo-5-[1-[2-oxo-2-(4-methylpiperazino)ethyl]-2-oxo-1,2-dihydropyrimidine-5-ylmethyl]-1,4-dihydropyrimidine-1-acetamide
Inchi KeyCRBYNKYIKPZMAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
PubChem CID44374849
ChEMBLN/A
IUPHARN/A
BindingDB50097697
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517559Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
517557Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
517558Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
517560Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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