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Ligand

NameCHEMBL76585
Molecular formulaC21H26N4O2
IUPAC name7-methyl-8-[(E)-1-phenylprop-1-en-2-yl]-1,3-dipropylpurine-2,6-dione
Molecular weight366.465
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.3
SynonymsSCHEMBL8372562
SCHEMBL8372571
7-Methyl-8-(1-methyl-2-phenyl-vinyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
1,3-Dipropyl-7-methyl-8-[(E)-1-methyl-2-phenylethenyl]xanthine
BDBM50006718
Inchi KeyCOSOPUIFIBWWGN-CCEZHUSRSA-N
Inchi IDInChI=1S/C21H26N4O2/c1-5-12-24-19-17(20(26)25(13-6-2)21(24)27)23(4)18(22-19)15(3)14-16-10-8-7-9-11-16/h7-11,14H,5-6,12-13H2,1-4H3/b15-14+
PubChem CID44315365
ChEMBLCHEMBL76585
IUPHARN/A
BindingDB50006718
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
46964Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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