CHEMBL609642


SMILES CNC(=O)[C@H]1OC(n2cnc3c(NCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey ZAOXIBYWCZHOAC-CDJKEZFESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 462.1

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 Rat Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.29 6.29 6.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database