CHEMBL4440137


SMILES Nc1nc(-c2ccco2)nc2sc(-c3ccccc3)nc12
InChIKey JLFVQFYMGKCKHG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 294.1

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
A3 AA3R Human Adenosine A pKi 8.55 8.55 8.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.77 8.77 8.77 ChEMBL
A1 AA1R Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.79 6.79 6.79 ChEMBL