CHEMBL402848


SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
InChIKey GVHQDMHRJGJQHF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 347.1

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 8.74 8.74 8.74 ChEMBL
A1 AA1R Human Adenosine A pKi 5.61 5.61 5.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.57 8.57 8.57 ChEMBL