CHEMBL357663


SMILES COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1
InChIKey KFCJVCKIWKNMNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 446.2

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
A2B AA2BR Human Adenosine A pKi 5.77 5.77 5.77 ChEMBL
A3 AA3R Human Adenosine A pKi 6.1 8.6 9.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.17 8.17 8.17 ChEMBL