CHEMBL27376


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey AGCJNWSEWOWGRS-DDDALXFXSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 554.0

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
A2A AA2AR Mouse Adenosine A pKi 5.27 5.27 5.27 ChEMBL
A1 AA1R Mouse Adenosine A pKi 8.13 8.13 8.13 ChEMBL
A3 AA3R Mouse Adenosine A pKi 9.1 9.1 9.1 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.96 8.96 8.96 ChEMBL
A3 AA3R Rat Adenosine A pKd 9.77 9.77 9.77 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.78 5.78 5.78 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.08 7.08 7.08 ChEMBL
A3 AA3R Human Adenosine A pKi 5.85 8.23 8.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A1 AA1R Human Adenosine A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 5.28 5.28 5.28 ChEMBL