CHEMBL284216


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey BUOKJEIZVUAMBO-RFFHHDCGSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 379.1

Drug properties

Molecular type Small molecule
Endogenous/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 5.47 5.47 5.47 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.06 8.06 8.06 ChEMBL
A3 AA3R Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 6.84 6.84 6.84 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.51 7.51 7.51 ChEMBL