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Ligand

NameCHEMBL78317
Molecular formulaC23H30N4O3
IUPAC name8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Molecular weight410.518
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
Synonyms8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
(E)-8-(4-Methoxy-2,3-dimethylstyryl)-7-methyl-1,3-dipropylxanthine
SCHEMBL7722747
AC1O68I0
151539-19-4
[ Show all ]
Inchi KeyAUBIFWCPXCGRBT-ZRDIBKRKSA-N
Inchi IDInChI=1S/C23H30N4O3/c1-7-13-26-21-20(22(28)27(14-8-2)23(26)29)25(5)19(24-21)12-10-17-9-11-18(30-6)16(4)15(17)3/h9-12H,7-8,13-14H2,1-6H3/b12-10+
PubChem CID6448777
ChEMBLCHEMBL78317
IUPHARN/A
BindingDB50290169
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
14478Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
14477Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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