CHEMBL87496


SMILES CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
InChIKey HHGLCIVVJISXCA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 346.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 5.87 5.87 5.87 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.14 6.14 6.15 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.14 4.2 4.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database