CHEMBL218378


SMILES COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIKey FSJVLFODYBZABL-PTGPVQHPSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 570.2

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 7.75 7.75 7.75 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.22 5.22 5.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.08 6.08 6.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database