CHEMBL2113541


SMILES COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey QFZYZNWVNVQKTI-SCFUHWHPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 497.1

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
A2A AA2AR Rat Adenosine A pKi 6.43 6.43 6.43 ChEMBL
A3 AA3R Human Adenosine A pKi 8.38 8.38 8.38 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.75 6.75 6.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database