CHEMBL1945563


SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
InChIKey KVSBFXTVPHRJRK-DDHOLCJHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 317.1

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
A3 AA3R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.2 7.2 7.2 ChEMBL
A1 AA1R Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 7.09 7.09 7.09 ChEMBL