CHEMBL4080383


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc32)[C@@H]1O
InChIKey PQSBCIUCTIMCPM-SDBHATRESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 447.0

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 6.63 6.63 6.63 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.71 5.71 5.71 ChEMBL
A1 AA1R Human Adenosine A pKi 7.95 7.95 7.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database