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Ligand

NameCHEMBL356458
Molecular formulaC18H30N4O2
IUPAC name8-heptan-4-yl-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight334.464
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
Synonyms1,3-Dipropyl-8-(1-propylbutyl)xanthine
1,3-Dipropyl-8-(1-propyl-butyl)-3,7-dihydro-purine-2,6-dione
BDBM50005400
Inchi KeyBRBRZOYKFSNBNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H30N4O2/c1-5-9-13(10-6-2)15-19-14-16(20-15)21(11-7-3)18(24)22(12-8-4)17(14)23/h13H,5-12H2,1-4H3,(H,19,20)
PubChem CID15750281
ChEMBLCHEMBL356458
IUPHARN/A
BindingDB50005400
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30862Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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