CHEMBL132629


SMILES N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O
InChIKey HDPXLHTWJXNUCC-CTWCOEIASA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 482.1

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 7.55 7.55 7.55 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.09 8.09 8.09 ChEMBL
A3 AA3R Human Adenosine A pKi 7.5 8.28 9.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.06 7.38 8.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database