CHEMBL272795


SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
InChIKey QTQBWKGZTBCDEM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 337.1

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 8.7 8.7 8.7 ChEMBL
A1 AA1R Human Adenosine A pKi 5.35 5.35 5.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.73 8.73 8.73 ChEMBL