CHEMBL4742689


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)cc(C#Cc4ccc(F)s4)nc32)[C@H](O)[C@@H]1O
InChIKey WXXFKKWTNMXWEC-CYJAXWMASA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 431.1

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 Mouse Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A3 AA3R Human Adenosine A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database