CHEMBL2181967


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1F
InChIKey BFUXSXWTXVGUOA-QQHRNGFRSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 519.0

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
A1 AA1R Rat Adenosine A pKi 5.87 5.87 5.87 ChEMBL
A3 AA3R Human Adenosine A pKi 7.12 7.12 7.12 ChEMBL
A1 AA1R Human Adenosine A pKi 5.33 5.33 5.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database