CHEMBL202722


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(-c5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey FBMOMQNCWCOOAE-PBQROFAYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 488.2

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 6.01 6.01 6.01 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.45 5.45 5.45 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.23 8.23 8.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database