CHEMBL1184241


SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
InChIKey TXHVSWXZNWCEIS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 412.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 4.48 4.48 4.48 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.06 4.06 4.06 ChEMBL
A3 AA3R Human Adenosine A pKi 5.85 5.85 5.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database