CHEMBL203958


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N(C(=O)Nc4ccc([N+](=O)[O-])cc4)C(=O)Nc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey JMUWJCGJJPZQEP-CMCWBKRRSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 636.2

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 6.78 6.78 6.78 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.05 7.05 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database