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Ligand

NameCHEMBL22042
Molecular formulaC18H28N4O2
IUPAC name8-cyclohexyl-7-methyl-1,3-dipropylpurine-2,6-dione
Molecular weight332.448
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50018168
SCHEMBL5453936
8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
1,3-dipropyl-7-methyl-8-cyclohexylxanthine
Inchi KeyAMDFTERSBYGODM-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
PubChem CID15627840
ChEMBLCHEMBL22042
IUPHARN/A
BindingDB50018168
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
8762Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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