CHEMBL4088081


SMILES CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey MBAGZFOXOWYGBM-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 574.0

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 Human Adenosine A pKi 9.24 9.24 9.24 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A1 AA1R Human Adenosine A pKi 6.32 6.32 6.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 8.57 8.57 8.57 ChEMBL