852A

Ligand id: 9025

Name: 852A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 111.28
Molecular weight 361.16
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
Database Links
ChEMBL Ligand CHEMBL549344
PubChem CID 10309114
Search Google for chemical match using the InChIKey YZOQZEXYFLXNKA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YZOQZEXYFLXNKA
Comments
852A is a soluble agonist of Toll-like receptor 7 (TLR7) [4]. It has been clinically investigated for potential anti-cancer activity [1-3,5].