CHEMBL1099127


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O
InChIKey FXBJQBUVNXULAF-RQXXJAGISA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 496.2

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 Human Adenosine A pKi 6.5 6.5 6.5 ChEMBL
A1 AA1R Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database