CHEMBL220889


SMILES CCCCC#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey NIZLYCJGSQRCLN-IWCJZZDYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 377.2

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 Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A1 AA1R Human Adenosine A pKi 7.01 7.01 7.01 ChEMBL
A3 AA3R Human Adenosine A pKi 8.55 8.55 8.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database