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Ligand

NameCHEMBL370588
Molecular formulaC23H21BrN4O4
IUPAC nameN-(4-bromophenyl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]propanamide
Molecular weight497.349
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50410697
Inchi KeyAHBFRDFGJZRTEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21BrN4O4/c1-13(21(29)25-16-8-6-15(24)7-9-16)32-17-10-4-14(5-11-17)18-12-19-20(26-18)22(30)28(3)23(31)27(19)2/h4-13,26H,1-3H3,(H,25,29)
PubChem CID11684701
ChEMBLCHEMBL370588
IUPHARN/A
BindingDB50410697
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5402Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
5401Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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