CHEMBL2163561


SMILES COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey XOTIHNLKQLTTCS-XNIJJKJLSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 477.1

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 6.35 6.35 6.35 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.33 5.33 5.33 ChEMBL
A1 AA1R Human Adenosine A pKi 7.44 7.44 7.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 5.85 6.06 6.28 ChEMBL