CHEMBL4282074


SMILES CCCSc1nc(NC(C)=O)cc(O[C@@H](C)c2ccccc2)n1
InChIKey JKHKXGWHVHXXCS-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 331.1

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 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.1 8.1 8.1 ChEMBL