CHEMBL3913413


SMILES Nc1nc(NCc2cccc(F)c2)nc2sc(-c3ccco3)nc12
InChIKey BUZWUSFZQKOOOY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 341.1

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 7.46 7.46 7.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.09 9.09 9.09 ChEMBL
A1 AA1R Human Adenosine A pKi 8.07 8.07 8.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.99 6.99 6.99 ChEMBL