CHEMBL4079433


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey CZCUVDQEGPHUNS-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 475.1

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 9.09 9.09 9.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
A1 AA1R Human Adenosine A pKi 8.22 8.22 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.5 7.5 7.5 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.5 7.5 7.5 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.62 6.62 6.62 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.65 5.65 5.65 ChEMBL