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Ligand

NameSCHEMBL3179805
Molecular formulaC11H15ClN4O2
IUPAC name3-butyl-8-chloro-1-ethyl-7H-purine-2,6-dione
Molecular weight270.717
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.6
SynonymsCHEMBL3731975
CNKGFJPRCJQATK-UHFFFAOYSA-N
3-Butyl-8-chloro-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
Inchi KeyCNKGFJPRCJQATK-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H15ClN4O2/c1-3-5-6-16-8-7(13-10(12)14-8)9(17)15(4-2)11(16)18/h3-6H2,1-2H3,(H,13,14)
PubChem CID59299543
ChEMBLCHEMBL3731975
IUPHARN/A
BindingDBN/A
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
522855Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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