CHEMBL462501


SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1
InChIKey CYASBWJYIBROFE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 293.1

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
A2B AA2BR Human Adenosine A pKi 6.59 6.59 6.59 ChEMBL
A3 AA3R Human Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A1 AA1R Human Adenosine A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database