STING agonist 2

Ligand id: 10127

Name: STING agonist 2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 215.66
Molecular weight 678.31
XLogP 2.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-{4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazol-1-yl]butyl}-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazole-5-carboxamide
Comments
This compound is a potent agonist of the stimulator of interferon genes (STING) protein, which is an intracellular detector/receptor of pathogen-derived and self DNA in the cytosol [2]. It was designed to be a systemically active immune-modifying anti-cancer therapeutic, with the potential to outperfom existing modified cyclic dinucleotide-based cGAMP (the endogenous STING agonist) development compounds, which are generally active by intratumoral delivery in a restricted range of accessible tumours. It is one of the chemical structures claimed in GlaxoSmithKline's patent WO2017175147A1 [1].
Database Links
GtoPdb PubChem SID 381118837
PubChem CID 132000066
RCSB PDB Ligand HG4
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