CHEMBL4079464


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@@H]1O
InChIKey GAKZQUAKTMXYIH-BAYCTPFLSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 355.1

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 5.92 5.92 5.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.98 4.98 4.98 ChEMBL
A1 AA1R Human Adenosine A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.89 4.89 4.89 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.85 6.85 6.85 ChEMBL