CHEMBL4521115


SMILES N#Cc1cccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1
InChIKey IYIVPBBGRWZCSP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 357.1

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 6.17 6.17 6.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.03 7.03 7.03 ChEMBL
A1 AA1R Human Adenosine A pKi 8.99 8.99 8.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 8.32 8.32 8.32 ChEMBL