CHEMBL2113570


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4[N+](=O)[O-])ncnc32)[C@H](O)[C@@H]1O
InChIKey CZZHLXAEYDPEMY-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 443.2

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 8.55 8.55 8.55 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.51 7.51 7.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database