CHEMBL86968


SMILES CCOC(=O)C1=C(C(F)(F)F)N=C(C)/C(=C(/O)OCC)C1C#Cc1ccccc1
InChIKey XIYLDRCFTRPPIE-KNTRCKAVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 407.1

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
A1 AA1R Rat Adenosine A pKi 4.63 4.63 4.63 ChEMBL
A3 AA3R Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database