CHEMBL2113628


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey XBMPRSDESCNSFX-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 505.1

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 6.56 6.56 6.56 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.54 6.54 6.54 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database