CHEMBL3414946


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey SLEKQRJDUVSCPY-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 461.1

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 Rat Adenosine A pKi 7.67 7.67 7.67 ChEMBL
A3 AA3R Human Adenosine A pKi 8.58 8.58 8.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.11 7.11 7.11 ChEMBL
A1 AA1R Human Adenosine A pKi 9.37 9.37 9.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.28 6.28 6.28 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.47 7.47 7.47 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.08 8.08 8.08 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.99 7.99 7.99 ChEMBL