STING agonist 3

Ligand id: 10128

Name: STING agonist 3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 4
Rotatable bonds 20
Topological polar surface area 246.59
Molecular weight 849.4
XLogP 2.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(2E)-4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-methoxy-1H-1,3-benzodiazole-5-carboxamide
Comments
This compound is an optimised derivative of STING agonist 2 that has improved solubility and improved potency in primary cells [2]. Like agonist 2 it is one of the chemical structures claimed in GlaxoSmithKline's patent WO2017175147A1 [1].
Database Links
GtoPdb PubChem SID 381118838
PubChem CID 131986624
Search Google for chemical match using the InChIKey JGLMVXWAHNTPRF-CMDGGOBGSA-N
Search Google for chemicals with the same backbone JGLMVXWAHNTPRF
Search UniChem for chemical match using the InChIKey JGLMVXWAHNTPRF-CMDGGOBGSA-N
Search UniChem for chemicals with the same backbone JGLMVXWAHNTPRF