CHEMBL4098408


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)ncnc32)[C@@H]1O
InChIKey DQQRUZXAWKTVAO-XNIJJKJLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 413.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 6.87 6.87 6.87 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.87 5.87 5.87 ChEMBL
A1 AA1R Human Adenosine A pKi 8.73 8.73 8.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.43 5.43 5.43 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.38 5.38 5.38 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.25 7.25 7.25 ChEMBL