CHEMBL2113703


SMILES CNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1
InChIKey FXEWFFAHNPVFJE-BWACUDIHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 528.0

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 7.48 7.48 7.48 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.33 5.33 5.33 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.99 5.99 5.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database