CHEMBL2043427


SMILES Nc1nc(SCCc2ccc(C(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey OATSKNIBVCRQCS-LSCFUAHRSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 447.1

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
A2A AA2AR Rat Adenosine A pKi 6.82 6.82 6.82 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A1 AA1R Human Adenosine A pKi 6.39 6.39 6.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database