CHEMBL164281


SMILES Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1
InChIKey ICNNXGJLOCFASJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 408.1

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 7.0 7.0 7.0 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 8.54 9.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
A1 AA1R Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.09 8.09 8.09 ChEMBL