CHEMBL577135


SMILES CCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1
InChIKey JEQYPTSYIYWQSD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 451.2

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 7.02 7.02 7.02 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A1 AA1R Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.27 5.27 5.27 ChEMBL