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Ligand

NameBDBM110138
Molecular formulaC16H15BrN4O2
IUPAC name8-[(E)-2-(4-bromophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Molecular weight375.226
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.6
Synonyms(E)-8-(4-Bromostyryl)-1,3,7-trimethylxanthine (4d)
Inchi KeyAXEZRSDTBGRPBQ-RMKNXTFCSA-N
Inchi IDInChI=1S/C16H15BrN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+
PubChem CID74983089
ChEMBLN/A
IUPHARN/A
BindingDB110138
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16640Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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