CHEMBL4175676


SMILES Nc1nc(NCc2ccncc2)nc2sc(-c3ccco3)nc12
InChIKey KHTVOKLHZZCRHX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 324.1

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 6.08 6.08 6.08 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A1 AA1R Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.48 7.48 7.48 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.73 7.78 7.82 ChEMBL