CHEMBL95820


SMILES O=C(Cc1ccc(I)cc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIKey SOMJNUJHVSJNAU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 529.0

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
A1 AA1R Rat Adenosine A pKi 7.86 7.86 7.86 ChEMBL
A3 AA3R Human Adenosine A pKi 7.2 7.2 7.2 ChEMBL
A2A AA2AR Rat Adenosine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database