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Ligand

NameCHEMBL77323
Molecular formulaC20H24N4O3
IUPAC name8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight368.437
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
Synonyms8-[2-(4-Methoxy-phenyl)-vinyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
BDBM50006700
SCHEMBL8374085
1,3-Dipropyl-8-[(E)-2-(4-methoxyphenyl)ethenyl]xanthine
Inchi KeyBBEXVXMDRRFCIG-DHZHZOJOSA-N
Inchi IDInChI=1S/C20H24N4O3/c1-4-12-23-18-17(19(25)24(13-5-2)20(23)26)21-16(22-18)11-8-14-6-9-15(27-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,21,22)/b11-8+
PubChem CID15170858
ChEMBLCHEMBL77323
IUPHARN/A
BindingDBN/A
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
19439Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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