CHEMBL514541


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@@H]1O
InChIKey JCAVHDDDZIXFHB-NNBIHLJJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 413.1

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 5.85 5.85 5.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.69 5.69 5.69 ChEMBL
A1 AA1R Human Adenosine A pKi 8.79 8.79 8.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database