CHEMBL97961


SMILES NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIKey RVMIIIKPFMQIGZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 356.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 8.12 8.12 8.12 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.05 7.05 7.05 ChEMBL
A3 AA3R Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 4.88 4.88 4.88 ChEMBL