CHEMBL2113468


SMILES CSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIKey IRSFOARXPSIPGE-XNIJJKJLSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 365.2

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 4.87 4.87 4.87 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.7 7.05 7.23 ChEMBL
A3 AA3R Human Adenosine A pKi 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 7.0 7.0 7.0 ChEMBL