CHEMBL105764


SMILES CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)C1CC
InChIKey MSNWJDZMEHZCQN-KNTRCKAVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 343.2

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 4.66 4.75 4.84 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.66 4.67 4.67 ChEMBL
A3 AA3R Human Adenosine A pKi 5.07 5.45 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database