CHEMBL2112484


SMILES CCOC(=O)C1=C(C)NC(C2CCCC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1
InChIKey GLFDKORLOKZWPL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 469.2

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 5.14 5.14 5.14 ChEMBL
A3 AA3R Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.77 4.77 4.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database