CHEMBL477667


SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O
InChIKey XRENBVUKDQUOEX-AEVYOOLXSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 479.1

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
A3 AA3R Human Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.66 5.66 5.66 ChEMBL
A1 AA1R Human Adenosine A pKi 6.59 6.59 6.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database