CHEMBL4172399


SMILES Nc1nc(NCc2ccco2)nc2sc(-c3ccco3)nc12
InChIKey NATVMWFSRHVEGA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 313.1

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 8.33 8.33 8.33 ChEMBL
A1 AA1R Human Adenosine A pKi 7.42 7.42 7.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.09 7.09 7.09 ChEMBL
A2A AA2AR Human Adenosine A pIC50 10.4 10.4 10.4 ChEMBL