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Ligand

NameCHEMBL603861
Molecular formulaC21H20F2N4O4
IUPAC name8-[(2,6-difluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-(2-methoxyethyl)-7-methylpurine-2,6-dione
Molecular weight430.412
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.2
SynonymsBDBM50415179
Inchi KeyACRHQCILRCGEKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F2N4O4/c1-25-17(11-14-15(22)6-3-7-16(14)23)24-19-18(25)20(28)26(8-10-30-2)21(29)27(19)12-13-5-4-9-31-13/h3-7,9H,8,10-12H2,1-2H3
PubChem CID46227974
ChEMBLCHEMBL603861
IUPHARN/A
BindingDB50415179
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1816Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
1817Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
1815Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441739Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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