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Ligand

NamePyrimidin-4-ylacetamide, 6
Molecular formulaC22H29N7O2
IUPAC nameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
Molecular weight423.521
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.2
SynonymsCHEMBL409420
SCHEMBL1489742
BDBM21192
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
Inchi KeyADUMYZLFDDEFPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29N7O2/c1-5-27-8-10-28(11-9-27)14-21(30)23-19-13-20(29-16(3)12-15(2)26-29)25-22(24-19)18-7-6-17(4)31-18/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
PubChem CID24768414
ChEMBLCHEMBL409420
IUPHARN/A
BindingDB21192
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3106Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
3104Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
3105Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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