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Ligand

NameCHEMBL104491
Molecular formulaC18H24N4O2
IUPAC name1,3-diethyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Molecular weight328.416
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL7269103
BDBM50004576
1,3-Diethyl-8-(hexahydro-2,5-methano-pentalen-3a-yl)-3,7-dihydro-purine-2,6-dione
Inchi KeyAGPFTBRVGPRNQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N4O2/c1-3-21-14-13(15(23)22(4-2)17(21)24)19-16(20-14)18-8-10-5-11(9-18)7-12(18)6-10/h10-12H,3-9H2,1-2H3,(H,19,20)
PubChem CID15667104
ChEMBLCHEMBL104491
IUPHARN/A
BindingDB50004576
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
5092Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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