CHEMBL5203632


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey LVIKZWXKFIGZQJ-SLHDEKGNSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 546.1

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 6.82 6.82 6.82 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.85 6.85 6.85 ChEMBL
A1 AA1R Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
A1 AA1R Human Adenosine A pKd 6.91 6.91 6.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.37 5.37 5.37 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.52 5.52 5.52 ChEMBL
A2A AA2AR Human Adenosine A pEC50 4.58 4.58 4.58 ChEMBL
A1 AA1R Human Adenosine A pEC50 9.62 9.62 9.62 ChEMBL