CHEMBL3314901


SMILES CCOC(=O)c1cnc(NCc2ccc(-c3ccccc3)cc2)n2nc(-c3ccco3)nc12
InChIKey RDPQQFRZIZWHKI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 439.2

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
A3 AA3R Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.73 6.73 6.73 ChEMBL
A1 AA1R Human Adenosine A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database