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Ligand

NameCHEMBL28295
Molecular formulaC14H23N5O2
IUPAC name7-[3-(dimethylamino)propyl]-1-methyl-3-propylpurine-2,6-dione
Molecular weight293.371
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP0.8
Synonyms7-(3-Dimethylamino-propyl)-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione
1-Methyl-3-propyl-7-[3-(dimethylamino)propyl]xanthine
BDBM50047234
Inchi KeyCPQQGQFCMYZNMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H23N5O2/c1-5-7-19-12-11(13(20)17(4)14(19)21)18(10-15-12)9-6-8-16(2)3/h10H,5-9H2,1-4H3
PubChem CID9971635
ChEMBLCHEMBL28295
IUPHARN/A
BindingDB50047234
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
47610Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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