CHEMBL144979


SMILES COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1
InChIKey YCBRJFDQRREGOZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 434.1

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 7.66 7.66 7.66 ChEMBL
A3 AA3R Human Adenosine A pKi 6.85 9.1 9.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.03 8.03 8.03 ChEMBL
A1 AA1R Human Adenosine A pKi 8.12 8.12 8.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.7 8.7 8.7 ChEMBL