CHEMBL5184828


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey OWYCVIZROVDXGH-FUWISXPPSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 516.2

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
A1 AA1R Rat Adenosine A pKd 7.02 7.02 7.02 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.9 6.9 6.9 ChEMBL
A1 AA1R Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
A1 AA1R Human Adenosine A pKd 6.67 6.67 6.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.72 4.72 4.72 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.83 5.83 5.83 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.04 5.04 5.04 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.29 8.29 8.29 ChEMBL