CHEMBL280580


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O
InChIKey USWIYPRHODPZSP-MQZHODQLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 520.1

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 6.26 6.26 6.26 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.28 7.28 7.28 ChEMBL
A3 AA3R Human Adenosine A pKi 8.62 8.62 8.62 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.21 5.21 5.21 ChEMBL
A1 AA1R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 5.17 5.17 5.17 ChEMBL