CHEMBL5557578


SMILES CCCCC#Cc1nc2c(NC)nc(-c3cccs3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O
InChIKey VBXKKOLNJBPXHL-CBLJQSSYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 429.1

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 8.77 8.77 8.77 ChEMBL
A1 AA1R Human Adenosine A pKi 5.17 5.17 5.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database