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Ligand

NameCHEMBL446679
Molecular formulaC12H18N4O2
IUPAC name1-butyl-3-propyl-7H-purine-2,6-dione
Molecular weight250.302
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.2
Synonyms135462-05-4
XT-044
BDBM50001516
1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione
SCHEMBL3842077
[ Show all ]
Inchi KeyAXDZQZQUNHYUGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
PubChem CID10198863
ChEMBLCHEMBL446679
IUPHARN/A
BindingDB50001516
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16606Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
16604Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
16605Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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