CHEMBL2113550


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5ncccn5)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey RLAHFLODROYPNU-GRXQJBFDSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 8
Molecular weight (Da) 584.2

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 6.39 6.39 6.39 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.78 7.78 7.78 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database