CHEMBL3951103


SMILES Nc1nc(NCCCc2ccccc2)nc2sc(-c3ccco3)nc12
InChIKey MSBBAXWACYQBNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 351.1

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 5.95 5.95 5.95 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.24 7.24 7.24 ChEMBL
A1 AA1R Human Adenosine A pKi 7.31 7.31 7.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.75 5.75 5.75 ChEMBL