CHEMBL2112485


SMILES CCOC(=O)C1=C(C)NC(C2CCC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1
InChIKey MYCXJKBHFCZYIP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 455.2

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
A3 AA3R Rat Adenosine A pKi 5.76 5.76 5.76 ChEMBL
A3 AA3R Human Adenosine A pKi 7.65 7.65 7.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database