CHEMBL201706


SMILES CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey KQEDWUPJFFHILG-QMWPFBOUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 358.1

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
A2A AA2AR Rat Adenosine A pKi 5.2 5.2 5.2 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.7 6.7 6.7 ChEMBL
A3 AA3R Human Adenosine A pKi 9.55 9.55 9.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
A1 AA1R Human Adenosine A pKi 5.88 5.88 5.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.4 9.4 9.4 ChEMBL