CHEMBL1098108


SMILES COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1
InChIKey YEHUDYLWUFJTMH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 359.1

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
A3 AA3R Human Adenosine A pKi 9.74 9.74 9.74 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.5 5.5 5.5 ChEMBL
A1 AA1R Human Adenosine A pKi 5.98 5.98 5.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.27 7.27 7.27 ChEMBL
A3 AA3R Human Adenosine A pIC50 8.62 9.41 10.21 ChEMBL