CHEMBL2113694


SMILES CNC(=O)[C@@H]1C[C@@H](F)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1
InChIKey OVZAFHPZNKQRQH-BWACUDIHSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 530.0

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
A3 AA3R Rat Adenosine A pKi 4.75 4.75 4.75 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.01 4.01 4.01 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.85 5.85 5.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database