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Ligand

NameCHEMBL610700
Molecular formulaC21H24N4O7
IUPAC name1-benzoyl-3-butyl-7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2,6-dione
Molecular weight444.444
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP0.6
SynonymsBDBM50368910
Inchi KeyCHXCLYZHVOMNFT-XZHXJBAPSA-N
Inchi IDInChI=1S/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3/t13-,15-,16-,20?/m1/s1
PubChem CID46876188
ChEMBLCHEMBL610700
IUPHARN/A
BindingDB50368910
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
42381Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
42382Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
42380Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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