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Ligand

NameCHEMBL115608
Molecular formulaC16H24N4O4
IUPAC name3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)propanoic acid
Molecular weight336.392
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
Synonyms3-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionic acid
3-[(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]propanoic acid
BDBM50037432
Inchi KeyBLBRCZMSXDKMIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H24N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h3-10H2,1-2H3,(H,17,18)(H,21,22)
PubChem CID11724565
ChEMBLCHEMBL115608
IUPHARN/A
BindingDB50037432
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
26375Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
26376Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
26374Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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