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Ligand

NameCHEMBL196259
Molecular formulaC16H16N8
IUPAC name9-methyl-2-(2-phenylethyl)-8-(triazol-2-yl)purin-6-amine
Molecular weight320.36
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsSCHEMBL4454079
BDBM50176059
L022072
9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
Inchi KeyABAHFXBQXJPKNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16N8/c1-23-15-13(22-16(23)24-18-9-10-19-24)14(17)20-12(21-15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20,21)
PubChem CID11702501
ChEMBLCHEMBL196259
IUPHARN/A
BindingDB50176059
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
690Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
689Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
688Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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