CHEMBL439447


SMILES CSc1c2c(nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(-c4ccco4)nc23)nn1C
InChIKey PPKKSLWWZOBHPQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 475.2

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 6.75 6.75 6.75 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
A1 AA1R Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database