CHEMBL3314900


SMILES CCOC(=O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12
InChIKey QQZCBTKNQSEZOZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 431.1

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
A2A AA2AR Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A1 AA1R Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.69 5.69 5.69 ChEMBL
A3 AA3R Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database