G10 [PMID: 26646986]   Click here for help

GtoPdb Ligand ID: 9206

Compound class: Synthetic organic
Comment: The discovery of the so-called STING agonist G10 by high throughput in vitro screening is reported in [1]. However, the authors could find no evidence of direct G10 binding to STING, despite experiments showing it being essential for the antiviral effects of the compound. The identity of the protein or factor engaged by G10 which stimulates the STING-dependent response is still being investigated.

G10 [PMID: 26646986] is commercially available from our sponsors

2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 87.85
Molecular weight 430.06
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)NCc1ccco1
Isomeric SMILES O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)NCc1ccco1
InChI InChI=1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)
InChI Key NAGKYJATVFXZKN-UHFFFAOYSA-N
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Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel