CHEMBL578145


SMILES Nc1nc(SCCC2OCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey NDIJERZOIGKCQX-FRJWGUMJSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 399.1

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 4.82 5.38 5.94 ChEMBL
A3 AA3R Human Adenosine A pKi 5.46 5.46 5.46 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.94 5.94 5.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database