CHEMBL122806


SMILES N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1
InChIKey YZZLLEXNNOPPIX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 348.1

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 6.98 6.98 6.98 ChEMBL
A1 AA1R Human Adenosine A pKi 8.36 8.36 8.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 8.0 8.0 8.0 ChEMBL