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Ligand

NameCHEMBL201449
Molecular formulaC26H26N4O7
IUPAC nameethyl 4-[[2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-methoxyphenoxy]acetyl]amino]benzoate
Molecular weight506.515
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.7
SynonymsSCHEMBL6506298
Inchi KeyAAIOTYFMYTXVBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O7/c1-5-36-25(33)15-6-9-17(10-7-15)27-22(31)14-37-20-11-8-16(12-21(20)35-4)18-13-19-23(28-18)24(32)30(3)26(34)29(19)2/h6-13,28H,5,14H2,1-4H3,(H,27,31)
PubChem CID11706118
ChEMBLCHEMBL201449
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441675Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
233Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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