CHEMBL4167557


SMILES Nc1nc(NCCc2ccco2)nc2sc(-c3ccco3)nc12
InChIKey JYTHVDBRJGGODY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 327.1

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 7.64 7.64 7.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.67 8.67 8.67 ChEMBL
A1 AA1R Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.85 7.85 7.85 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.37 8.45 8.53 ChEMBL