CHEMBL2092941


SMILES Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey CWAZQSMXHLXXQI-GDERYSGFSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 3
Molecular weight (Da) 397.1

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
A1 AA1R Rat Adenosine A pKi 8.47 8.47 8.47 ChEMBL
A3 AA3R Human Adenosine A pKi 8.48 8.48 8.48 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.15 8.15 8.15 ChEMBL
A1 AA1R Human Adenosine A pKi 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.62 5.62 5.62 ChEMBL