CHEMBL5199871


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O
InChIKey LFZLXYTXUUROTO-NKYRPOHVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 475.2

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 pKi 6.56 6.56 6.56 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.77 6.77 6.77 ChEMBL
A1 AA1R Human Adenosine A pKi 6.56 6.56 6.56 ChEMBL
A1 AA1R Human Adenosine A pKd 6.74 6.74 6.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.57 4.57 4.57 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.17 5.17 5.17 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.47 8.47 8.47 ChEMBL