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Ligand

NameCHEMBL102859
Molecular formulaC14H20N4O2
IUPAC name8-cyclopentyl-1,3-diethyl-7H-purine-2,6-dione
Molecular weight276.34
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms1,3-Diethyl-8-cyclopentylxanthine
BDBM50004589
8-Cyclopentyl-1,3-diethyl-3,7-dihydro-purine-2,6-dione
Inchi KeyALAWEPCLEBECQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H20N4O2/c1-3-17-12-10(13(19)18(4-2)14(17)20)15-11(16-12)9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)
PubChem CID15667089
ChEMBLCHEMBL102859
IUPHARN/A
BindingDB50004589
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
8083Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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