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Ligand

NameCHEMBL210642
Molecular formulaC18H16N6O3
IUPAC nameN-[6-amino-2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
Molecular weight364.365
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.2
SynonymsBDBM50189811
N-(6-amino-2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
Inchi KeyAJAKSDKKOWTRGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)
PubChem CID11595710
ChEMBLCHEMBL210642
IUPHARN/A
BindingDB50189811
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
6699Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
6700Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
6701Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
6702Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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