CHEMBL474016


SMILES COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1
InChIKey ZUQSIVIEDRMHRP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 412.1

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
A1 AA1R Bovine Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.23 6.23 6.23 ChEMBL
A3 AA3R Human Adenosine A pKi 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.44 7.44 7.44 ChEMBL