CHEMBL5206687


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey IPCOKIQQQVGBQN-FUWISXPPSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 560.1

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 6.38 6.38 6.38 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.56 6.56 6.56 ChEMBL
A1 AA1R Human Adenosine A pKd 6.13 6.13 6.13 ChEMBL
A1 AA1R Human Adenosine A pKi 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 5.82 5.82 5.82 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.97 7.97 7.97 ChEMBL