CHEMBL4088238


SMILES Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(NC5CCCC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey ZMXUTGGKOIFFBD-NVQRDWNXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 447.2

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 6.46 6.46 6.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.99 4.99 4.99 ChEMBL
A1 AA1R Human Adenosine A pKi 7.73 7.73 7.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 5.72 5.72 5.72 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.27 6.27 6.27 ChEMBL