CHEMBL349191


SMILES CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCN1C(=O)c2ccccc2C1=O
InChIKey QQEQTFXYPMUJLK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 516.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pKi 6.31 6.31 6.31 ChEMBL
A3 AA3R Human Adenosine A pKi 6.61 6.61 6.61 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.94 5.94 5.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database