CHEMBL2113488


SMILES O=[N+]([O-])c1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey XWAJYBMMONGQBY-XNIJJKJLSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 528.0

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
A2A AA2AR Rat Adenosine A pKi 5.84 5.84 5.84 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A3 AA3R Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database