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Ligand

NameCHEMBL1092868
Molecular formulaC16H13N7O2S
IUPAC name1-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-3-phenylurea
Molecular weight367.387
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50315589
1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl)-3-phenylurea
Inchi KeyAIUWWXNDBNYFMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13N7O2S/c1-26-16-20-13-18-12(11-8-5-9-25-11)22-23(13)14(21-16)19-15(24)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
PubChem CID46885471
ChEMBLCHEMBL1092868
IUPHARN/A
BindingDB50315589
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6539Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
6541Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
6540Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441949Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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