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Ligand

NameCHEMBL574502
Molecular formulaC23H22ClN7O3
IUPAC name2-(4-chlorophenoxy)-N-[4-(furan-2-yl)-11-(3-methylbutyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]acetamide
Molecular weight479.925
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50298495
2-(4-chlorophenoxy)-N-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide
Inchi KeyAELXUYMSGIUIDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22ClN7O3/c1-14(2)9-10-30-12-17-20(28-30)27-23(25-19(32)13-34-16-7-5-15(24)6-8-16)31-22(17)26-21(29-31)18-4-3-11-33-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,27,28,32)
PubChem CID45482063
ChEMBLCHEMBL574502
IUPHARN/A
BindingDB50298495
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
3624Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
3623Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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