CHEMBL2113640


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@]1(C)O
InChIKey BCBWBWYAEYYGGB-LOSGSANQSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 553.1

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
A1 AA1R Bovine Adenosine A pKi 5.88 5.88 5.88 ChEMBL
A3 AA3R Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database