CHEMBL5399191


SMILES CCCCC#Cc1nc(NC)c2nc(-c3ccco3)n([C@@H]3SC[C@@H](O)[C@H]3O)c2n1
InChIKey VCPHSIUPIXSXMW-CBLJQSSYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 413.2

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
A3 AA3R Human Adenosine A pKi 7.27 7.27 7.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database