CHEMBL3234952


SMILES COc1ccc(-c2nc(CSc3nc(N)c(C#N)c(-c4ccc5c(c4)OCO5)n3)cs2)cc1
InChIKey XUZIGYKESUMBEQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 475.1

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 8.74 8.74 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 8.72 8.72 8.72 ChEMBL