CHEMBL203357


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight (Da) 344.0

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
A1 AA1R Rat Adenosine A pKi 6.53 6.53 6.53 ChEMBL
A3 AA3R Human Adenosine A pKi 9.4 9.4 9.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A1 AA1R Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.0 9.0 9.0 ChEMBL