CHEMBL140693


SMILES CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N=C(C)/C(=C(/O)OCC)C1/C=C/c1ccccc1
InChIKey QPEKZONCKALHGN-ANDANUJZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 462.2

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 4.4 4.4 4.4 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.88 4.88 4.88 ChEMBL
A3 AA3R Human Adenosine A pKi 5.38 5.38 5.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database