CHEMBL2043295


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

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 483.1

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
A2A AA2AR Rat Adenosine A pKi 7.35 7.35 7.35 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
A1 AA1R Human Adenosine A pKi 6.27 6.27 6.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.93 6.93 6.93 ChEMBL