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Ligand

NameCHEMBL181062
Molecular formulaC26H25ClN6O4
IUPAC name8-[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight520.974
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50159987
SCHEMBL1943379
8-{4-[5-(4-Chloro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Inchi KeyACBRNVRYVJLTKA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25ClN6O4/c1-3-13-32-23-21(25(34)33(14-4-2)26(32)35)29-22(30-23)16-7-11-19(12-8-16)36-15-20-28-24(37-31-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
PubChem CID21958639
ChEMBLCHEMBL181062
IUPHARN/A
BindingDB50159987
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1410Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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