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Ligand

NameCHEMBL11385
Molecular formulaC13H11N5O4
IUPAC name1,3-dimethyl-8-(3-nitrophenyl)-7H-purine-2,6-dione
Molecular weight301.262
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50020983
SCHEMBL515768
1,3-Dimethyl-8-(3-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
Inchi KeyAVOQYDYGNRKHGS-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H11N5O4/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-4-3-5-8(6-7)18(21)22/h3-6H,1-2H3,(H,14,15)
PubChem CID13525052
ChEMBLCHEMBL11385
IUPHARN/A
BindingDB50020983
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15499Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
15500Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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