CHEMBL4472401


SMILES N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccoc1
InChIKey KBNKHXPSZAYJCI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 286.1

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
A1 AA1R Human Adenosine A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.07 6.07 6.07 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.24 7.24 7.24 ChEMBL