CHEMBL549563


SMILES O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H]1O
InChIKey PCYJILZJDFFIPA-IXPVHAAZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 395.1

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 7.12 7.12 7.12 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.44 5.44 5.44 ChEMBL
A1 AA1R Human Adenosine A pKi 5.61 5.61 5.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database