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Ligand

NameCHEMBL28980
Molecular formulaC13H18N4O2
IUPAC name7-but-3-enyl-1-methyl-3-propylpurine-2,6-dione
Molecular weight262.313
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.5
Synonyms7-But-3-enyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione
1-Methyl-3-propyl-7-(3-butenyl)xanthine
BDBM50047252
Inchi KeyCDPLOYJOJXNIRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h4,9H,1,5-8H2,2-3H3
PubChem CID10378028
ChEMBLCHEMBL28980
IUPHARN/A
BindingDB50047252
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
39501Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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