CHEMBL413686


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 503.0

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 8.38 8.38 8.38 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.47 6.47 6.47 ChEMBL
A1 AA1R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database