CHEMBL4068032


SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12
InChIKey NIIBSIMWHVDFED-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 445.1

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
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A3 AA3R Human Adenosine A pKi 5.3 5.3 5.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.89 8.05 8.38 ChEMBL
A1 AA1R Human Adenosine A pKi 5.3 5.5 5.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database