CHEMBL3752342


SMILES O=C(Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12)c1ccccc1
InChIKey WCSVRVISKLMGQV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 411.1

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 6.6 6.6 6.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A1 AA1R Human Adenosine A pKi 5.84 5.84 5.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database