CHEMBL354161


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1
InChIKey PCXPLFCLERZTBF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 419.1

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 6.75 6.75 6.75 ChEMBL
A3 AA3R Human Adenosine A pKi 6.37 8.94 9.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A1 AA1R Human Adenosine A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.26 8.26 8.26 ChEMBL