CHEMBL283013


SMILES CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F
InChIKey YTMCTWONBYRCCU-UESPBHMZSA-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
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 4.06 4.06 4.06 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.18 5.18 5.18 ChEMBL
A3 AA3R Human Adenosine A pKi 4.63 4.63 4.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 5.6 5.6 5.6 ChEMBL