CHEMBL3961930


SMILES C#CCCC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12
InChIKey RKYLNOINWNNTQG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 335.1

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 7.96 7.96 7.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database