CHEMBL4127351


SMILES Nc1nc(NCCc2ccccc2)nc2sc(-c3ccccc3)nc12
InChIKey ZWRUQFMXUZVKQY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 347.1

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 5.64 5.64 5.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.39 6.39 6.39 ChEMBL
A1 AA1R Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.36 5.36 5.36 ChEMBL