CHEMBL4447663


SMILES N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1ccco1
InChIKey MRUNWTOEZIGJBB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 333.1

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 6.87 6.87 6.87 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.97 6.97 6.97 ChEMBL
A1 AA1R Human Adenosine A pKi 8.57 8.57 8.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 8.47 8.47 8.47 ChEMBL