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Ligand

NameCHEMBL2313295
Molecular formulaC18H16F3N3O2
IUPAC name1,3,5-trimethyl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
Molecular weight363.34
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50425486
Inchi KeyABSJQRQXPUIGHS-BQYQJAHWSA-N
Inchi IDInChI=1S/C18H16F3N3O2/c1-22-13(8-7-11-5-4-6-12(9-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b8-7+
PubChem CID71563047
ChEMBLCHEMBL2313295
IUPHARN/A
BindingDB50425486
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
1136Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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