CHEMBL3935610


SMILES Nc1nc(NCCc2ccccc2)nc2sc(-c3ccco3)nc12
InChIKey UNFCWBZGDOODJH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 337.1

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 6.66 6.66 6.66 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
A1 AA1R Human Adenosine A pKi 7.62 7.62 7.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.41 6.41 6.41 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.46 7.63 7.8 ChEMBL