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Ligand

NameCHEMBL124887
Molecular formulaC23H20N6O2
IUPAC name5-[8-(4-phenylphenyl)-1H-[1,2,4]triazolo[5,1-f]purin-5-yl]pentanoic acid
Molecular weight412.453
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50149132
SCHEMBL6629818
5-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-pentanoic acid
Inchi KeyACSUGMMZMHLDIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20N6O2/c30-19(31)9-5-4-8-18-26-22-20(24-14-25-22)23-27-21(28-29(18)23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,24,25)(H,30,31)
PubChem CID135484632
ChEMBLCHEMBL124887
IUPHARN/A
BindingDB50149132
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557350Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
557349Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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