CHEMBL2113557


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(SC)nc32)[C@H](O)[C@@H]1O
InChIKey OIHRRULXBCUMIP-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 556.0

Drug properties

Molecular type Small molecule
Endogenous/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 8.64 8.64 8.64 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.49 5.49 5.49 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.67 5.67 5.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database