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Ligand

NameCID 3072468
Molecular formulaC24H32N4O5
IUPAC name1,3-dibutyl-8-[2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Molecular weight456.543
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsN/A
Inchi KeyCEEBLJIHWMIBSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4O5/c1-6-8-12-27-22-20(23(29)28(24(27)30)13-9-7-2)25-19(26-22)11-10-16-14-17(31-3)21(33-5)18(15-16)32-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,25,26)
PubChem CID3072468
ChEMBLN/A
IUPHARN/A
BindingDB50006717
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39816Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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