CHEMBL3314880


SMILES O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12
InChIKey NWQNJVWWWACIPI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 467.2

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 5.87 5.87 5.87 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.29 7.29 7.29 ChEMBL
A1 AA1R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database