CHEMBL2113558


SMILES Nc1nc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey OQHQDJKKAVBZKY-VWSCUNPCSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 456.2

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
A2A AA2AR Rat Adenosine A pKi 7.27 7.27 7.27 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.03 6.03 6.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 6.2 6.2 6.2 ChEMBL