CHEMBL610990


SMILES CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccc(CC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey FYOIUZCREGUNRZ-PHTWQSKTSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 8
Molecular weight (Da) 509.2

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
A1 AA1R Rat Adenosine A pKi 5.31 5.31 5.31 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.35 7.35 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database