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Ligand

NameCHEMBL608026
Molecular formulaC13H18N4O7
IUPAC name7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methoxy-1,3-dimethylpurine-2,6-dione
Molecular weight342.308
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP-1.7
SynonymsBDBM50368919
Inchi KeyBSVUMWYISNZPDL-YNJARDAQSA-N
Inchi IDInChI=1S/C13H18N4O7/c1-15-9-6(10(21)16(2)13(15)22)17(12(14-9)23-3)11-8(20)7(19)5(4-18)24-11/h5,7-8,11,18-20H,4H2,1-3H3/t5-,7-,8-,11?/m1/s1
PubChem CID46875695
ChEMBLCHEMBL608026
IUPHARN/A
BindingDB50368919
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32045Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
32047Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
32046Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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