CHEMBL2113491


SMILES O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey BMWATIVARSTKRP-HALQFCHDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 527.0

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 6.68 6.68 6.68 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A3 AA3R Human Adenosine A pKi 8.01 8.01 8.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database