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Ligand

NameCHEMBL561364
Molecular formulaC27H29N5O6
IUPAC nameN-(4-acetylphenyl)-2-[4-[1-ethyl-3-(3-methoxypropyl)-2,6-dioxo-7H-purin-8-yl]phenoxy]acetamide
Molecular weight519.558
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50414351
Inchi KeyAKZIEFVYNBPYOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O6/c1-4-31-26(35)23-25(32(27(31)36)14-5-15-37-3)30-24(29-23)19-8-12-21(13-9-19)38-16-22(34)28-20-10-6-18(7-11-20)17(2)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
PubChem CID45268867
ChEMBLCHEMBL561364
IUPHARN/A
BindingDB50414351
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8048Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
8047Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
8046Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
442031Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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