CHEMBL3403739


SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2N(C)C)sc(C(=O)OC)c1C
InChIKey AOKQKJLVGCXOFA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 518.1

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 5.56 5.56 5.56 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.01 5.01 5.01 ChEMBL
A1 AA1R Human Adenosine A pKi 4.85 4.85 4.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database