CHEMBL105672


SMILES CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F
InChIKey YTMCTWONBYRCCU-MLJWKTOOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 356.1

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
A3 AA3R Rat Adenosine A pKi 5.21 5.21 5.21 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.46 4.46 4.46 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A3 AA3R Human Adenosine A pKi 5.56 5.56 5.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database