Detailed information for compound 64264

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.515 | Formula: C17H34O3S
  • H donors: 1 H acceptors: 3 LogP: 5.93 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC[S+](CCCCCCCCC(=O)O)[O-]
  • InChi: 1S/C17H34O3S/c1-2-3-4-5-9-12-15-21(20)16-13-10-7-6-8-11-14-17(18)19/h2-16H2,1H3,(H,18,19)
  • InChiKey: GVTZRCXJWFEGSF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.0172 0.1004
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0176
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0102 0.1708 0.7816
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0102 0.1708 0.7245
Loa Loa (eye worm) hypothetical protein 0.0069 0.0896 0.4099
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0119 0.2134 0.9706
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.1708 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0119 0.2134 0.9706
Onchocerca volvulus 0.0121 0.2185 1
Mycobacterium ulcerans hypothetical protein 0.0347 0.782 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0102 0.1708 0.1708
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.0121 0.2185 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0102 0.1708 0.7245
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.1708 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.0172 0.0785
Mycobacterium tuberculosis Conserved protein 0.0347 0.782 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0102 0.1708 0.1708
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0102 0.1708 0.7816
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0102 0.1708 1
Mycobacterium leprae conserved hypothetical protein 0.0347 0.782 0.5
Plasmodium falciparum eukaryotic initiation factor 4A 0.0102 0.1708 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.1708 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2134 0.9767
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0121 0.2185 1
Mycobacterium ulcerans hypothetical protein 0.0347 0.782 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0121 0.2185 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0264 0.0264
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0264 0.0264
Leishmania major eukaryotic initiation factor 4a, putative 0.0102 0.1708 0.7245
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.0172 0.0785
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0119 0.2134 0.9706
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.0172 0.0785
Loa Loa (eye worm) hypothetical protein 0.0121 0.2185 1
Plasmodium vivax RNA helicase-1, putative 0.0102 0.1708 1
Schistosoma mansoni 6-phosphofructokinase 0.0121 0.2185 0.2185
Loa Loa (eye worm) hypothetical protein 0.0102 0.1708 0.7816
Echinococcus granulosus eukaryotic initiation factor 4A 0.0102 0.1708 0.7816
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0102 0.1708 0.7816
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0121 0.2185 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0102 0.1708 0.7245
Brugia malayi eukaryotic initiation factor 4A 0.0102 0.1708 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0102 0.1708 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0105 0.0616
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0102 0.1708 0.7816
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0102 0.1708 0.7245
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0102 0.1708 0.1108
Entamoeba histolytica hypothetical protein, conserved 0.0347 0.782 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0347 0.782 1
Treponema pallidum ATP-dependent RNA helicase 0.0102 0.1708 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0121 0.2185 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0105 0.0616
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0121 0.2185 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0119 0.2134 0.9706

Activities

Activity type Activity value Assay description Source Reference
I50 (functional) 0 uM Inhibition of dihydrosterculate synthesis in Crithidia fasciculata; No inhibition ChEMBL. 3398003
I50 (functional) > 100 uM The compound was tested for 50% growth inhibition against Crithidia fasciculata ChEMBL. 3398003

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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