CHEMBL436255


SMILES CNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1F
InChIKey DTURSQNWTZDPMO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 546.0

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
A1 AA1R Rat Adenosine A pKi 6.09 6.1 6.11 ChEMBL
A3 AA3R Human Adenosine A pKi 6.39 7.7 9.0 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.33 6.33 6.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database