CHEMBL2113540


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5ccccn5)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey IQVYUNJWQGINHQ-QPXQOZNCSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 8
Molecular weight (Da) 583.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.27 7.27 7.27 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.13 6.13 6.13 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database