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Ligand

NameCHEMBL33115
Molecular formulaC19H24N4O2
IUPAC name8-(2-phenylethyl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight340.427
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.6
Synonyms1,3-Dipropyl-8-(2-phenylethyl)xanthine
BDBM50006697
SCHEMBL8769258
8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Inchi KeyCIDAIWBSWSWBOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)
PubChem CID14843018
ChEMBLCHEMBL33115
IUPHARN/A
BindingDB50006697
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
42565Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
42566Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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