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Ligand

NameCHEMBL562427
Molecular formulaC25H27N5O6
IUPAC name2-[4-[1-ethyl-3-(3-methoxypropyl)-2,6-dioxo-7H-purin-8-yl]phenoxy]-N-(4-hydroxyphenyl)acetamide
Molecular weight493.52
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50414360
Inchi KeyAKVYMVYDFPHFKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N5O6/c1-3-29-24(33)21-23(30(25(29)34)13-4-14-35-2)28-22(27-21)16-5-11-19(12-6-16)36-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
PubChem CID45269711
ChEMBLCHEMBL562427
IUPHARN/A
BindingDB50414360
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
7946Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
7944Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
7945Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
442030Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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