CHEMBL500569


SMILES O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O
InChIKey IDVXTFYPPUNLDO-AXAPSJFSSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 469.0

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 7.32 7.32 7.32 ChEMBL
A3 AA3R Human Adenosine A pKi 8.6 8.71 8.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.36 6.5 6.64 ChEMBL
A1 AA1R Human Adenosine A pKi 6.07 6.18 6.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database