CHEMBL141550


SMILES O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIKey DWZXGZAHYQTPLP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 438.0

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
A2B AA2BR Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
A3 AA3R Human Adenosine A pKi 6.72 8.97 9.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.02 8.02 8.02 ChEMBL
A1 AA1R Human Adenosine A pKi 8.09 8.09 8.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.62 8.62 8.62 ChEMBL