CHEMBL2113429


SMILES CCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey SAIWICSBUHUKBF-WVSUBDOOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 415.2

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 Rat Adenosine A pKi 5.1 5.1 5.1 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.23 5.23 5.23 ChEMBL
A3 AA3R Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database