CHEMBL133566


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey LOGOEBMHHXYBID-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 525.1

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 8.89 8.89 8.9 ChEMBL
A3 AA3R Rat Adenosine A pKd 9.0 9.0 9.0 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.71 6.71 6.71 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.75 7.99 8.47 ChEMBL
A3 AA3R Human Adenosine A pKi 6.0 8.11 8.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database