CHEMBL3908770


SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(-c3ccco3)nc12
InChIKey PAERJGTURZDOCC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 353.1

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
A3 AA3R Human Adenosine A pKi 5.72 5.72 5.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.75 7.75 7.75 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
A2A AA2AR Human Adenosine A pIC50 7.6 7.64 7.68 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.32 6.32 6.32 ChEMBL