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Ligand

NameCHEMBL519319
Molecular formulaC17H15N5O5S2
IUPAC nameN-methylsulfonyl-N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanesulfonamide
Molecular weight433.457
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.4
Synonyms4-bismethanesulfonylamino-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one
BDBM50271497
Inchi KeyBPGHJNHOHZMYDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15N5O5S2/c1-28(24,25)22(29(2,26)27)15-16-19-21(12-8-4-3-5-9-12)17(23)20(16)14-11-7-6-10-13(14)18-15/h3-11H,1-2H3
PubChem CID44586227
ChEMBLCHEMBL519319
IUPHARN/A
BindingDB50271497
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
29533Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
29535Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
29536Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
29537Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
29532Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
29534Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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