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Ligand

NameCHEMBL2113345
Molecular formulaC17H18N4O4
IUPAC name2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetic acid
Molecular weight342.355
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.8
SynonymsN/A
Inchi KeyAEGGQHBFSYNDCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18N4O4/c1-2-3-8-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-4-10(5-7-11)9-12(22)23/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,20,25)(H,22,23)
PubChem CID10882425
ChEMBLCHEMBL2113345
IUPHARN/A
BindingDBN/A
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
3434Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
3433Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
3432Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441845Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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