CHEMBL4100130


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey UZFDWTZKFFINRX-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 509.1

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 8.29 8.29 8.29 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.05 6.05 6.05 ChEMBL
A1 AA1R Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.98 6.98 6.98 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.01 7.01 7.01 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.27 6.27 6.27 ChEMBL