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Ligand

NameCHEMBL75597
Molecular formulaC21H26N4O2
IUPAC name7-methyl-8-[(E)-3-phenylprop-2-enyl]-1,3-dipropylpurine-2,6-dione
Molecular weight366.465
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.0
Synonyms1,3-Dipropyl-7-methyl-8-[(E)-3-phenyl-2-propenyl]xanthine
BDBM50006701
7-Methyl-8-(3-phenyl-allyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Inchi KeyAFJGZAMGBLWZAS-FMIVXFBMSA-N
Inchi IDInChI=1S/C21H26N4O2/c1-4-14-24-19-18(20(26)25(15-5-2)21(24)27)23(3)17(22-19)13-9-12-16-10-7-6-8-11-16/h6-12H,4-5,13-15H2,1-3H3/b12-9+
PubChem CID15170855
ChEMBLCHEMBL75597
IUPHARN/A
BindingDB50006701
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
4204Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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