CHEMBL207408


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(I)nc32)[C@H](O)[C@@H]1O
InChIKey JKEKHMHZOGHMCB-QRIDJOKKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 462.1

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
A3 AA3R Human Adenosine A pKi 8.39 8.39 8.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.71 5.71 5.71 ChEMBL
A1 AA1R Human Adenosine A pKi 7.69 7.69 7.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database