CHEMBL4758462


SMILES CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O
InChIKey JOXIPFXPBCNFCC-RUZZFIIFSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 457.1

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
A1 AA1R Mouse Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.2 6.2 6.2 ChEMBL
A3 AA3R Human Adenosine A pKi 7.98 7.98 7.98 ChEMBL
A1 AA1R Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database