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Ligand

NameCHEMBL218326
Molecular formulaC18H19N9O4
IUPAC name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(4-pyridin-2-yltriazol-1-yl)purin-9-yl]oxolane-3,4-diol
Molecular weight425.409
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP-0.9
Synonyms906670-52-8
CTK3I1597
DTXSID00582396
BDBM50199968
AKOS030575561
[ Show all ]
Inchi KeyBFNBQDWOBYWSKD-LSCFUAHRSA-N
Inchi IDInChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1
PubChem CID16094549
ChEMBLCHEMBL218326
IUPHARN/A
BindingDB50199968
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22452Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
22450Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
22451Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
22453Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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