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Ligand

NameCHEMBL374645
Molecular formulaC16H23N9O4
IUPAC name(2R,3R,4S,5R)-2-[2-[4-[(dimethylamino)methyl]triazol-1-yl]-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight405.419
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP-0.8
SynonymsBDBM50199980
2-(4-dimethylaminomethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine
Inchi KeyCRKZMZSQJYBAJR-SDBHATRESA-N
Inchi IDInChI=1S/C16H23N9O4/c1-17-13-10-14(20-16(19-13)25-5-8(21-22-25)4-23(2)3)24(7-18-10)15-12(28)11(27)9(6-26)29-15/h5,7,9,11-12,15,26-28H,4,6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
PubChem CID16094548
ChEMBLCHEMBL374645
IUPHARN/A
BindingDB50199980
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
48879Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
48878Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
48877Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
48880Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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