CHEMBL4078360


SMILES Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey BHLZQOKQEWHIPN-WVSUBDOOSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 507.1

Drug properties

Molecular type Small molecule
Endogenous/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 6.86 6.86 6.86 ChEMBL
A1 AA1R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.15 6.15 6.15 ChEMBL
A1 AA1R Human Adenosine A pEC50 5.25 5.25 5.25 ChEMBL