CHEMBL4128138


SMILES Nc1nc(NCc2ccccc2)nc2sc(-c3ccccc3)nc12
InChIKey BMOKUKWSLKUAHZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 333.1

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 6.56 6.56 6.56 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
A1 AA1R Human Adenosine A pKi 7.43 7.43 7.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.45 6.45 6.45 ChEMBL