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Ligand

NameCHEMBL112756
Molecular formulaC21H14N4O
IUPAC name3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Molecular weight338.37
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50102282
3,10-Diphenyl[1,2,4]triazino[4,3-a]benzimidazole-4(10H)-one
3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-4-one
Inchi KeyBFVHCJSDSWWYEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
PubChem CID10449783
ChEMBLCHEMBL112756
IUPHARN/A
BindingDB50102282
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22674Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
22676Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
22675Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
22678Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
22677Adenosine receptor A3Q0VC81ADORA3Bos taurus (Bovine)317
442544Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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