CHEMBL2113701


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]2OC(=S)O[C@H]12
InChIKey PWCUFBYAXYFCHR-IPJQOSJUSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 586.0

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
A3 AA3R Rat Adenosine A pKi 7.91 7.91 7.91 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.06 6.06 6.06 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