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Ligand

NameCHEMBL123144
Molecular formulaC16H15BrN6
IUPAC name8-(4-bromophenyl)-5-butyl-1H-[1,2,4]triazolo[5,1-f]purine
Molecular weight371.242
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50117241
8-(4-Bromo-phenyl)-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine
Inchi KeyAEVGFNXLWBWXCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15BrN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
PubChem CID135437142
ChEMBLCHEMBL123144
IUPHARN/A
BindingDB50117241
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
557393Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
557394Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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