CHEMBL3351031


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)[n+](Cc4ccccc4[N+](=O)[O-])cnc32)[C@H](O)[C@@H]1[O-]
InChIKey QXVSMOKQJWZCHJ-QCUYGVNKSA-O

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 443.2

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 7.57 7.57 7.57 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.71 6.71 6.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database