CHEMBL3314899


SMILES CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12
InChIKey WKDIXLOBNDTWJA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 397.1

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
A1 AA1R Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.13 7.13 7.13 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.79 5.79 5.79 ChEMBL
A3 AA3R Human Adenosine A pKi 7.25 7.25 7.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database