CHEMBL2113611


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey JTIYCZNMHZLDEU-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 428.2

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 8.37 8.37 8.37 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database