CHEMBL490605


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21
InChIKey GSPXPSPDVBRJRV-JHOKLZQASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 497.0

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
A3 AA3R Human Adenosine A pKi 8.84 8.84 8.84 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A1 AA1R Human Adenosine A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.53 7.53 7.53 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.92 7.92 7.92 ChEMBL