CHEMBL549885


SMILES Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1
InChIKey BENBHTCDSUCPSQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 295.1

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 5.86 5.86 5.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.37 8.37 8.37 ChEMBL
A1 AA1R Human Adenosine A pKi 6.91 6.91 6.91 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database