CHEMBL3752514


SMILES Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12
InChIKey BCJLRYNWJFOABF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 307.1

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 7.51 7.51 7.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.96 8.96 8.96 ChEMBL
A1 AA1R Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.66 5.66 5.66 ChEMBL