CHEMBL3892694


SMILES O[C@H]1C[C@@]2(n3cnc4c(NCc5cccc(OCCF)c5)nc(Cl)nc43)C[C@H]2[C@H]1O
InChIKey ONBWPLMRNKCNOQ-AQXBJYLJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 433.1

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 Human Adenosine A pKi 5.45 5.45 5.45 ChEMBL
A3 AA3R Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database