CHEMBL2112931


SMILES CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC(F)(F)F)c1CCC
InChIKey KCKYGEHGCBXEMD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 453.2

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
A3 AA3R Rat Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.21 5.21 5.21 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.08 5.08 5.08 ChEMBL
A3 AA3R Human Adenosine A pKi 7.74 7.74 7.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database