CHEMBL1170518


SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIKey BAHHPLVRJISHAN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 359.1

Drug properties

Molecular type Small molecule
Endogenous/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 6.89 6.89 6.89 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A1 AA1R Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.46 6.46 6.46 ChEMBL