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Ligand

NameCHEMBL8966
Molecular formulaC12H10ClN5O2
IUPAC nameethyl 4-amino-8-chloro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
Molecular weight291.695
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsBDBM50178629
ethyl 8-chloro-4-imino-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
Inchi KeyBXMZKPVQYIIUDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H10ClN5O2/c1-2-20-12(19)10-16-11-9(14)15-7-4-3-6(13)5-8(7)18(11)17-10/h3-5H,2H2,1H3,(H2,14,15)
PubChem CID44405057
ChEMBLCHEMBL8966
IUPHARN/A
BindingDB50178629
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
35228Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
35229Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
443076Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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