CHEMBL2112631


SMILES O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc([N+](=O)[O-])cc1
InChIKey HVDPKVMGEBDGBC-UNMKOGDSSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 483.2

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 5.16 5.16 5.16 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.09 6.11 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database