CHEMBL344724


SMILES CC(C)(C)n1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1
InChIKey BKGNWAOTMICOMA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 450.1

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
A2B AA2BR Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
A3 AA3R Human Adenosine A pKi 5.56 8.06 8.56 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
A1 AA1R Human Adenosine A pKi 5.99 5.99 5.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database