CHEMBL307199


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey MIBNONCHNQYLDV-XNIJJKJLSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 517.0

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 8.57 8.73 8.85 ChEMBL
A1 AA1R Bovine Adenosine A pKi 6.05 6.05 6.05 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.42 7.42 7.42 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.15 7.2 7.73 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.3 5.3 5.3 ChEMBL
A3 AA3R Human Adenosine A pKi 6.88 8.51 9.66 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.4 6.55 6.7 ChEMBL
A1 AA1R Human Adenosine A pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database