CHEMBL4292012


SMILES CNc1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2)c2nc(-c3ccco3)nn12
InChIKey HATKLAXIQZSKPC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 416.1

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
A3 AA3R Human Adenosine A pKi 7.82 7.82 7.82 ChEMBL
A1 AA1R Human Adenosine A pKi 5.42 5.42 5.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.53 5.53 5.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database