Detailed information for compound 184968

Basic information

Technical information
  • TDR Targets ID: 184968
  • Name: 2-[(E)-non-1-enyl]sulfonylacetamide
  • MW: 247.354 | Formula: C11H21NO3S
  • H donors: 1 H acceptors: 3 LogP: 2.41 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC/C=C/S(=O)(=O)CC(=O)N
  • InChi: 1S/C11H21NO3S/c1-2-3-4-5-6-7-8-9-16(14,15)10-11(12)13/h8-9H,2-7,10H2,1H3,(H2,12,13)/b9-8+
  • InChiKey: BXATXLLWRCNQIU-CMDGGOBGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(E)-non-1-enyl]sulfonylethanamide
  • (E)-3-Sulfonyldodec-4-enamide
  • AIDS-094377
  • AIDS094377

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 granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Brugia malayi NADH-dependent xylose reductase 0.0036 0.2363 0.2363
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0036 0.2363 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Echinococcus multilocularis aldo keto reductase 0.0124 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Trypanosoma brucei prostaglandin f synthase 0.0124 1 1
Entamoeba histolytica aldose reductase, putative 0.0124 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Echinococcus granulosus aldo keto reductase 0.0124 1 1
Echinococcus multilocularis aldo keto reductase 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Leishmania major prostaglandin f synthase, putative 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Onchocerca volvulus 0.0124 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0036 0.2363 0.2363
Schistosoma mansoni aldo-keto reductase 0.0124 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0036 0.2363 0.5
Plasmodium vivax aldehyde reductase, putative 0.0036 0.2363 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0124 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0036 0.2363 0.2363
Loa Loa (eye worm) oxidoreductase 0.0124 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0124 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0036 0.2363 0.2363
Brugia malayi plexin A 0.0025 0.1376 0.1376
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Schistosoma mansoni aldo-keto reductase 0.0124 1 1
Loa Loa (eye worm) plexin A 0.0025 0.1376 0.1376
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0124 1 1
Loa Loa (eye worm) oxidoreductase 0.0124 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Onchocerca volvulus 0.0124 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0124 1 1
Onchocerca volvulus 0.0124 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0036 0.2363 0.2363
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Echinococcus granulosus plexin a4 0.0025 0.1376 0.1376
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Loa Loa (eye worm) oxidoreductase 0.0124 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0124 1 1
Schistosoma mansoni plexin 0.0012 0.0295 0.0295
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0124 1 1
Onchocerca volvulus 0.0036 0.2363 0.2363
Entamoeba histolytica aldose reductase, putative 0.0124 1 1
Toxoplasma gondii aldose reductase, putative 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Loa Loa (eye worm) oxidoreductase 0.0124 1 1
Onchocerca volvulus 0.0124 1 1
Echinococcus granulosus hypothetical protein 0.0124 1 1
Onchocerca volvulus 0.0124 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Giardia lamblia Aldose reductase 0.0124 1 0.5
Entamoeba histolytica aldose reductase, putative 0.0124 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1047 0.1047
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Echinococcus multilocularis aldo keto reductase 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Echinococcus granulosus aldo keto reductase 0.0124 1 1
Schistosoma mansoni pol-related 0.0124 1 1
Echinococcus multilocularis aldo keto reductase 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Echinococcus multilocularis aldehyde reductase 0.0088 0.6886 0.6886
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0124 1 1
Schistosoma mansoni plexin 0.0021 0.1047 0.1047
Mycobacterium leprae Conserved hypothetical protein 0.0088 0.6886 0.5922
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0124 1 1
Echinococcus granulosus aldehyde reductase 0.0088 0.6886 0.6886
Loa Loa (eye worm) hypothetical protein 0.0124 1 1
Onchocerca volvulus 0.0124 1 1
Schistosoma mansoni potassium channel beta 0.0036 0.2363 0.2363
Leishmania major aldo-keto reductase-like protein 0.0124 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0124 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0036 0.2363 0.2363
Giardia lamblia Aldose reductase 0.0124 1 0.5
Echinococcus multilocularis plexin a4 0.0025 0.1376 0.1376
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0124 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Loa Loa (eye worm) oxidoreductase 0.0124 1 1
Schistosoma mansoni hypothetical protein 0.0012 0.0295 0.0295
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0124 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Onchocerca volvulus 0.0021 0.1047 0.1047
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0124 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0036 0.2363 0.5
Brugia malayi Plexin repeat family protein 0.0021 0.1047 0.1047
Echinococcus granulosus aldo keto reductase 0.0124 1 1
Trypanosoma cruzi aldo-keto reductase 0.0124 1 1
Mycobacterium ulcerans oxidoreductase 0.0124 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0295 0.0295
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0124 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Activity against M. tuberculosis (H37Rv) using the standard BACTEC radiometric growth assay ChEMBL. 10966749
MIC (functional) = 12.5 ug ml-1 Activity against M. tuberculosis (H37Rv) using the standard BACTEC radiometric growth assay ChEMBL. 10966749

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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