Detailed information for compound 234096

Basic information

Technical information
  • TDR Targets ID: 234096
  • Name: 2-(3,4-dichlorophenoxy)-3-methylsulfonylpyrid ine
  • MW: 318.176 | Formula: C12H9Cl2NO3S
  • H donors: 0 H acceptors: 3 LogP: 3.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1Cl)Oc1ncccc1S(=O)(=O)C
  • InChi: 1S/C12H9Cl2NO3S/c1-19(16,17)11-3-2-6-15-12(11)18-8-4-5-9(13)10(14)7-8/h2-7H,1H3
  • InChiKey: DGDSAHAIUIVAPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,4-dichlorophenoxy)-3-methylsulfonyl-pyridine
  • 2-(3,4-dichlorophenoxy)-3-mesyl-pyridine
  • 85331-25-5
  • AIDS-190887
  • AIDS190887
  • Pyridine, 2-(3,4-dichlorophenoxy)-3-(methylsulfonyl)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis integrin alpha 3 0.0236 0.1989 0.2977
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0393 0.5178 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0393 0.5178 1
Treponema pallidum ATP-dependent RNA helicase 0.0393 0.5178 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0393 0.5178 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0143 0.0095 0.0183
Loa Loa (eye worm) hypothetical protein 0.0393 0.5178 0.4845
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0393 0.5178 0.7749
Plasmodium vivax RNA helicase-1, putative 0.0393 0.5178 0.5
Echinococcus granulosus integrin beta 2 0.0467 0.6682 1
Echinococcus granulosus integrin alpha 3 0.0236 0.1989 0.2977
Loa Loa (eye worm) integrin beta-2 0.063 1 1
Brugia malayi Integrin alpha pat-2 precursor 0.0307 0.3448 0.1886
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0393 0.5178 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.1926 0.1368
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0393 0.5178 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0393 0.5178 0.5
Loa Loa (eye worm) integrin alpha pat-2 0.0474 0.6833 0.6614
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0393 0.5178 0.7749
Echinococcus granulosus eukaryotic initiation factor 4A 0.0393 0.5178 0.7749
Plasmodium falciparum eukaryotic initiation factor 4A 0.0393 0.5178 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0143 0.0095 0.0183
Echinococcus multilocularis integrin beta 2 0.0467 0.6682 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0393 0.5178 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0393 0.5178 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0393 0.5178 0.5
Schistosoma mansoni integrin beta subunit 0.0371 0.4737 0.9147
Schistosoma mansoni integrin alpha 0.0307 0.3448 0.6659
Brugia malayi eukaryotic initiation factor 4A 0.0393 0.5178 0.4028
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0393 0.5178 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0393 0.5178 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0393 0.5178 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0393 0.5178 0.5
Loa Loa (eye worm) hypothetical protein 0.0241 0.2105 0.156
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0393 0.5178 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0393 0.5178 0.7749
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0393 0.5178 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC50 (functional) = 79 uM Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-1A ChEMBL. 3005578
MIC50 (functional) = 157 uM Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-2 ChEMBL. 3005578
MIC50 (functional) = 157 uM Lowest concentration to reduce viral effect by 50% or more against coxsackie virus A21 ChEMBL. 3005578
Toxicity (ADMET) = 157 uM Cytotoxicity concentration in HeLa cells ChEMBL. 3005578
Toxicity (ADMET) = 157 uM Cytotoxicity concentration in HeLa cells ChEMBL. 3005578

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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