CHEMBL3827396


SMILES COc1cc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc(OC)c1OC
InChIKey FCQRAGAWNCOGCD-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 417.1

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
A3 AA3R Human Adenosine A pKi 5.84 5.84 5.84 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A1 AA1R Human Adenosine A pKi 6.01 6.01 6.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database