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Ligand

NameCHEMBL418193
Molecular formulaC18H22N4O2
IUPAC name7-benzyl-1,3-dipropylpurine-2,6-dione
Molecular weight326.4
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.9
SynonymsDTXSID10468238
ACMC-20m5ao
SCHEMBL1944712
102284-71-9
7-Benzyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyVUCFOFXDFGNTRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)20(13-19-16)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
PubChem CID11537163
ChEMBLCHEMBL418193
IUPHARN/A
BindingDB50014262
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
364347Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
364348Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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