Detailed information for compound 1387325

Basic information

Technical information
  • TDR Targets ID: 1387325
  • Name: N-(butyl-methyl-$l^{4}-sulfanylidene)-4-methy lbenzenesulfonamide
  • MW: 273.415 | Formula: C12H19NO2S2
  • H donors: 0 H acceptors: 2 LogP: 3.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCS(=NS(=O)(=O)c1ccc(cc1)C)C
  • InChi: 1S/C12H19NO2S2/c1-4-5-10-16(3)13-17(14,15)12-8-6-11(2)7-9-12/h6-9H,4-5,10H2,1-3H3
  • InChiKey: JRLQNIIAMXVKAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (NE)-N-(butyl-methyl-$l^{4}-sulfanylidene)-4-methylbenzenesulfonamide
  • N-(butyl-methyl-$l^{4}-sulfanylidene)-4-methyl-benzenesulfonamide
  • (NE)-N-(butyl-methyl-$l^{4}-sulfanylidene)-4-methyl-benzenesulfonamide
  • 53799-67-0
  • N-(Butyl(methyl)-lambda(4)-sulfanylidene)-4-methylbenzenesulfonamide
  • NSC 99138
  • AE-641/05550006
  • AIDS-126126
  • AIDS126126
  • N-(Butyl(methyl)-.lambda.~4~-sulfanylidene)-4-methylbenzenesulfonamide
  • NSC99138
  • NCIOpen2_006507
  • MLS000704702
  • N-[butyl(methyl)-lambda~4~-sulfanylidene]-4-methylbenzenesulfonamide
  • SMR000230473

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0017 0 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1528 0.1528
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5
Brugia malayi Sema domain containing protein 0.0039 0.0825 0.0825
Schistosoma mansoni plexin 0.0094 0.2871 1
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0825 0.0825
Schistosoma mansoni hypothetical protein 0.0039 0.0825 0.2874
Loa Loa (eye worm) hypothetical protein 0.0094 0.2871 0.2871
Loa Loa (eye worm) hypothetical protein 0.0039 0.0825 0.0825
Echinococcus granulosus plexin a4 0.0112 0.3515 0.3515
Brugia malayi Plexin repeat family protein 0.0094 0.2871 0.2871
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0017 0 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0022 0.0172 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.1528 0.532
Schistosoma mansoni semaphorin 5-related 0.0039 0.0825 0.2874
Loa Loa (eye worm) sema domain-containing protein 0.0039 0.0825 0.0825
Loa Loa (eye worm) hypothetical protein 0.0055 0.1403 0.1403
Brugia malayi hypothetical protein 0.0039 0.0825 0.0825
Schistosoma mansoni hypothetical protein 0.0058 0.1528 0.532
Echinococcus multilocularis plexin a4 0.0112 0.3515 0.3515
Schistosoma mansoni hypothetical protein 0.0055 0.1403 0.4885
Schistosoma mansoni hypothetical protein 0.0039 0.0825 0.2874
Brugia malayi plexin A 0.0112 0.3515 0.3515
Brugia malayi Sema domain containing protein 0.0039 0.0825 0.0825
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0825 0.0825
Loa Loa (eye worm) hypothetical protein 0.0039 0.0825 0.0825
Onchocerca volvulus 0.0058 0.1528 0.3433
Loa Loa (eye worm) hypothetical protein 0.0039 0.0825 0.0825
Echinococcus multilocularis semaphorin 5B 0.0039 0.0825 0.0825
Onchocerca volvulus 0.0094 0.2871 1
Echinococcus multilocularis hypothetical protein 0.0039 0.0825 0.0825
Echinococcus granulosus semaphorin 1A 0.0039 0.0825 0.0825
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0825 0.0825
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5
Loa Loa (eye worm) sema domain-containing protein 0.0039 0.0825 0.0825
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Brugia malayi hypothetical protein 0.0039 0.0825 0.0825
Entamoeba histolytica protein kinase domain containing protein 0.0022 0.0172 1
Schistosoma mansoni plexin 0.0055 0.1403 0.4885
Echinococcus granulosus semaphorin 5B 0.0039 0.0825 0.0825
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0017 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5
Loa Loa (eye worm) plexin A 0.0112 0.3515 0.3515
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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