CHEMBL4796077


SMILES Cc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)cc1
InChIKey NSGJWVVFFNBRGB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 388.1

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 5.92 5.92 5.92 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.46 9.71 10.2 ChEMBL
A3 AA3R Human Adenosine A pKi 7.38 7.38 7.38 ChEMBL
A1 AA1R Human Adenosine A pKi 8.12 8.12 8.12 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 8.89 9.71 10.17 ChEMBL