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Ligand

NameSMR000104521
Molecular formulaC12H16N6O4
IUPAC name5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight308.298
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.7
SynonymsCHEMBL277076
MCULE-6160962792
AKOS000656214
BDBM86761
HMS1375A16
[ Show all ]
Inchi KeyJADDQZYHOWSFJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)
PubChem CID2868392
ChEMBLCHEMBL277076
IUPHARN/A
BindingDB86761
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
145786Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
145787Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
145789Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
145785Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
145788Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
145790Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319
145791Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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