CHEMBL379472


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(I)nc32)[C@H](O)[C@@H]1O
InChIKey ZPCRNMJTKFIDSH-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 583.1

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 6.6 6.6 6.6 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.58 6.58 6.58 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.53 7.53 7.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database