CHEMBL2113487


SMILES O=[N+]([O-])c1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey VTCCLDVMXSEKER-XNIJJKJLSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 402.1

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
A1 AA1R Rat Adenosine A pKi 5.85 5.85 5.85 ChEMBL
A3 AA3R Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database