CHEMBL3828306


SMILES COc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1
InChIKey UTPNFCKIISZMII-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 357.1

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 6.23 6.23 6.23 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A1 AA1R Human Adenosine A pKi 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database