CHEMBL4126116


SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(-c3ccccc3)nc12
InChIKey QRUMXLQAAAQLDF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 363.1

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 5.79 5.79 5.79 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A1 AA1R Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.12 5.12 5.12 ChEMBL