CHEMBL5179726


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey SHAAKPNCJJAATO-NKYRPOHVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 519.1

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
A1 AA1R Rat Adenosine A pKi 6.13 6.13 6.13 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.17 6.17 6.17 ChEMBL
A1 AA1R Human Adenosine A pKi 5.06 5.86 6.38 ChEMBL
A1 AA1R Human Adenosine A pKd 5.84 5.84 5.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 5.08 5.08 5.08 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.74 7.74 7.74 ChEMBL