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Ligand

NameCHEMBL429420
Molecular formulaC24H24N6O
IUPAC name2-(3,5-dimethylphenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide
Molecular weight412.497
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50372572
Inchi KeyAGKSAEJJQWDEES-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N6O/c1-15-9-16(2)11-19(10-15)13-23(31)26-21-14-22(30-18(4)12-17(3)29-30)28-24(27-21)20-7-5-6-8-25-20/h5-12,14H,13H2,1-4H3,(H,26,27,28,31)
PubChem CID44454670
ChEMBLCHEMBL429420
IUPHARN/A
BindingDB50372572
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4967Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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