CHEMBL3234955


SMILES N#Cc1c(N)nc(SCc2csc(-c3ccc(I)cc3)n2)nc1-c1ccc2c(c1)OCO2
InChIKey JUYJYMJIYNUBGQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 571.0

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 Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 8.02 8.02 8.02 ChEMBL