CHEMBL573937


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey ZXPDGTGMZKIESV-LUZJUFSVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 406.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 8.24 8.24 8.24 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.76 7.76 7.76 ChEMBL
A3 AA3R Human Adenosine A pKi 8.43 8.43 8.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.49 5.49 5.49 ChEMBL
A1 AA1R Human Adenosine A pKi 7.74 7.74 7.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 8.55 8.55 8.55 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.09 8.09 8.09 ChEMBL