CHEMBL329791


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 404.1

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 6.58 6.58 6.58 ChEMBL
A3 AA3R Human Adenosine A pKi 6.7 9.37 9.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.86 5.86 5.86 ChEMBL
A1 AA1R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.57 8.57 8.57 ChEMBL