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Ligand

NameCHEMBL423239
Molecular formulaC18H20N4O4
IUPAC name4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoic acid
Molecular weight356.382
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
Synonyms94781-78-9
BW A1433U
AC1L3TX7
BWA-1433U
BW A-1433U
[ Show all ]
Inchi KeyDNQSBNFCLWHHHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)
PubChem CID122071
ChEMBLCHEMBL423239
IUPHARN/A
BindingDB50018151
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64586Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
64587Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
64588Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
64585Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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