CHEMBL4582726


SMILES N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccs1
InChIKey YXXOKHAOVKOYHV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 302.0

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
A3 AA3R Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Human Adenosine A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.05 6.05 6.05 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.97 6.97 6.97 ChEMBL