CHEMBL1184175


SMILES CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
InChIKey CZJMNOJROPHVEQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 414.2

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 5.22 5.22 5.22 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.84 4.84 4.84 ChEMBL
A3 AA3R Human Adenosine A pKi 6.36 6.36 6.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database