Detailed information for compound 2071574

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.47 | Formula: C16H27N3OS
  • H donors: 0 H acceptors: 1 LogP: 2.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1scc(n1)CN1CCN(CC1)CC1CCCO1)C
  • InChi: 1S/C16H27N3OS/c1-13(2)16-17-14(12-21-16)10-18-5-7-19(8-6-18)11-15-4-3-9-20-15/h12-13,15H,3-11H2,1-2H3
  • InChiKey: MBCITJZSLZYJEL-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
Schistosoma mansoni hypothetical protein 0.014 0.2865 0.4336
Brugia malayi GTP-binding protein 0.0162 0.3395 0.5139
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0295 0.6607 1
Trichomonas vaginalis hypothetical protein 0.0035 0.0311 0.0471
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1173 0.5
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0035 0.0311 0.5
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0295 0.6607 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0821 0.1242
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1173 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.1173 0.5
Brugia malayi translation initiation factor 4E 0.0295 0.6607 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0295 0.6607 1
Echinococcus multilocularis survival motor neuron protein 1 0.0275 0.6137 0.6137
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0035 0.0311 0.0471
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0035 0.0311 0.0471
Trypanosoma brucei RNA helicase, putative 0.014 0.2865 0.4056
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0311 0.0471
Entamoeba histolytica translation initiation factor 4e, putative 0.0035 0.0311 0.0471
Giardia lamblia Hypothetical protein 0.0035 0.0311 0.5
Giardia lamblia hypothetical protein 0.0035 0.0311 0.5
Loa Loa (eye worm) GTP-binding protein 0.0162 0.3395 0.5139
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0295 0.6607 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0311 0.5
Leishmania major eukaryotic translation initiation factor-like 0.0295 0.6607 1
Brugia malayi GTP-binding protein, identical 0.0162 0.3395 0.5139
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.1173 0.1173
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0295 0.6607 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0295 0.6607 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0295 0.6607 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Giardia lamblia Hypothetical protein 0.0035 0.0311 0.5
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0295 0.6607 0.6607
Schistosoma mansoni cell polarity protein 0.0162 0.3395 0.5139
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0295 0.6607 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0035 0.0311 0.0471
Onchocerca volvulus 0.0056 0.0821 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0295 0.6607 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0035 0.0311 0.0471
Loa Loa (eye worm) hypothetical protein 0.0275 0.6137 0.9289
Echinococcus multilocularis expressed protein 0.0434 1 1
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0035 0.0311 0.0311
Loa Loa (eye worm) translation initiation factor 4E 0.0295 0.6607 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.1173 0.1173
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Brugia malayi hypothetical protein 0.0275 0.6137 0.9289
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0035 0.0311 0.0471
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.1173 0.137
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0295 0.6607 1
Plasmodium vivax translation initiation factor 4E, putative 0.0035 0.0311 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Entamoeba histolytica hypothetical protein 0.0035 0.0311 0.0471
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Schistosoma mansoni cell polarity protein 0.0162 0.3395 0.5139
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1173 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.1173 0.137
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0035 0.0311 0.0471
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0035 0.0311 0.0471
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0035 0.0311 0.0471
Entamoeba histolytica hypothetical protein 0.0035 0.0311 0.0471
Giardia lamblia Translation elongation factor 0.0035 0.0311 0.5
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0295 0.6607 1
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0035 0.0311 0.0471
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0311 0.0471
Schistosoma mansoni hypothetical protein 0.0056 0.0821 0.1242
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0035 0.0311 0.0471
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0295 0.6607 0.6607
Leishmania major eukaryotic translation initiation factor-like protein 0.0295 0.6607 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Echinococcus multilocularis ras gtpase 0.0162 0.3395 0.3395
Echinococcus granulosus ras gtpase 0.0162 0.3395 0.3395
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.1173 0.1776
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0311 0.0471
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.1173 0.1776
Schistosoma mansoni survival motor neuron protein 0.0056 0.0821 0.1242
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0035 0.0311 0.0471
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0035 0.0311 0.0471
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0295 0.6607 1
Echinococcus granulosus survival motor neuron protein 1 0.0275 0.6137 0.6137

Activities

No activities found for this compound.

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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