CHEMBL2113427


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 513.0

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 Rat Adenosine A pKi 5.74 5.74 5.74 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A3 AA3R Human Adenosine A pKi 8.06 8.06 8.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.57 7.57 7.57 ChEMBL