CHEMBL5748840


SMILES O[C@@H]1[C@H](O)CS[C@H]1c1nnc2c(NCc3cccc(OC(F)(F)F)c3)nccn12
InChIKey JXAJYMYABNFNSL-JHJVBQTASA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 427.1

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 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 5.26 5.26 5.26 ChEMBL