CHEMBL3922410


SMILES Nc1nc(Nc2ccccc2)nc2sc(-c3ccco3)nc12
InChIKey YEXYVRKJKQADJF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 309.1

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 6.49 6.49 6.49 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A1 AA1R Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.2 6.2 6.2 ChEMBL