CHEMBL225593


SMILES Nc1nc(OCCc2cccc(F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey VJSICGUJMFZSKL-LSCFUAHRSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 405.1

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 6.96 7.1 7.24 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.75 6.79 6.82 ChEMBL
A1 AA1R Human Adenosine A pKi 6.51 6.51 6.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.16 7.16 7.16 ChEMBL
A3 AA3R Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database