CHEMBL200732


SMILES CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey IRIUFVPPSHYZRM-PFHKOEEOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 560.0

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 9.09 9.09 9.09 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.85 6.85 6.85 ChEMBL
A3 AA3R Human Adenosine A pKi 9.42 9.42 9.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
A1 AA1R Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.22 9.22 9.22 ChEMBL