CHEMBL4167125


SMILES Nc1nc(NCc2cccnc2)nc2sc(-c3ccco3)nc12
InChIKey UFMNYHKCNGBYQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 324.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 8.15 8.15 8.15 ChEMBL
A3 AA3R Human Adenosine A pKi 7.74 7.74 7.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 10.23 10.6 10.96 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.96 6.96 6.96 ChEMBL