CHEMBL4065326


SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)c(F)c3)nc12
InChIKey YFKXIEKMGLBNSH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 463.1

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
A2B AA2BR Human Adenosine A pKi 5.3 5.3 5.3 ChEMBL
A3 AA3R Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.19 8.33 8.62 ChEMBL
A1 AA1R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database