CHEMBL4102379


SMILES CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey XPJMYZRINFWPBT-PFHKOEEOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 559.9

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 8.7 8.7 8.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.91 5.91 5.91 ChEMBL
A1 AA1R Human Adenosine A pKi 6.81 6.81 6.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database