CHEMBL383548


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Cc4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@@H]1O
InChIKey AYIOONPUFNVWIY-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 494.1

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 6.78 6.78 6.78 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.58 7.58 7.58 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database