Detailed information for compound 884254

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.336 | Formula: C15H16Cl2N2O2S2
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCCNC(=O)c1csc(n1)COc1ccc(cc1Cl)Cl
  • InChi: 1S/C15H16Cl2N2O2S2/c1-22-6-2-5-18-15(20)12-9-23-14(19-12)8-21-13-4-3-10(16)7-11(13)17/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,20)
  • InChiKey: HLBPYHSBRDTATD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0289 0.7608 0.7536
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.1042 0.137
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0034 0.0292 1
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0034 0.0292 0.0384
Entamoeba histolytica translation initiation factor 4e, putative 0.0034 0.0292 0.0384
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0034 0.0292 1
Brugia malayi hypothetical protein 0.0236 0.6079 0.791
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0 0.5
Loa Loa (eye worm) translation initiation factor 4E 0.0289 0.7608 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1042 1
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0289 0.7608 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0034 0.0292 0.0384
Giardia lamblia Hypothetical protein 0.0034 0.0292 0.5
Brugia malayi GTP-binding protein 0.0139 0.3297 0.4107
Giardia lamblia hypothetical protein 0.0034 0.0292 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.6079 0.5961
Leishmania major hypothetical protein, conserved 0.0034 0.0292 0.0384
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.1783 0.1536
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0289 0.7608 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0034 0.0292 0.0384
Echinococcus multilocularis expressed protein 0.0372 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1042 1
Entamoeba histolytica hypothetical protein 0.0034 0.0292 0.0384
Echinococcus granulosus ras gtpase 0.0139 0.3297 0.3095
Echinococcus multilocularis ras gtpase 0.0139 0.3297 0.2517
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0289 0.7608 0.733
Entamoeba histolytica hypothetical protein 0.0034 0.0292 0.0384
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7608 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.1042 0.0773
Loa Loa (eye worm) hypothetical protein 0.0236 0.6079 0.791
Leishmania major eukaryotic translation initiation factor-like 0.0289 0.7608 1
Leishmania major eukaryotic translation initiation factor, putative 0.0034 0.0292 0.0384
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.1042 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.1783 0.2038
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.1783 0.1587
Mycobacterium leprae conserved hypothetical protein 0.0024 0 0.5
Onchocerca volvulus 0.0086 0.1783 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0034 0.0292 0.0384
Brugia malayi GTP-binding protein, identical 0.0139 0.3297 0.4107
Onchocerca volvulus 0.0048 0.0685 0.263
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0034 0.0292 0.0384
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0289 0.7608 1
Giardia lamblia Hypothetical protein 0.0034 0.0292 0.5
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0034 0.0292 0.0384
Leishmania major hypothetical protein, conserved 0.0034 0.0292 0.0384
Toxoplasma gondii hypothetical protein 0.0034 0.0292 0.0384
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0289 0.7608 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.1783 0.0827
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1042 0.0517
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0034 0.0292 0.0384
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.6079 0.5623
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0289 0.7608 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0289 0.7608 1
Loa Loa (eye worm) GTP-binding protein 0.0139 0.3297 0.4107
Trypanosoma brucei RNA helicase, putative 0.0136 0.3211 0.4221
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7608 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1042 0.0517
Plasmodium vivax translation initiation factor 4E, putative 0.0034 0.0292 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0034 0.0292 0.0384
Loa Loa (eye worm) hypothetical protein 0.0086 0.1783 0.2038
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.1042 0.137
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1042 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7608 1
Giardia lamblia Translation elongation factor 0.0034 0.0292 0.5
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0034 0.0292 0.0384
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0289 0.7608 1
Brugia malayi translation initiation factor 4E 0.0289 0.7608 1
Leishmania major eukaryotic translation initiation factor-like protein 0.0289 0.7608 1
Schistosoma mansoni hypothetical protein 0.0136 0.3211 0.3649
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0685 0.0536
Schistosoma mansoni cell polarity protein 0.0139 0.3297 0.3774
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0289 0.7608 1
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0292 1
Schistosoma mansoni cell polarity protein 0.0139 0.3297 0.3774
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7608 1
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0034 0.0292 0.0384
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0034 0.0292 0.0384

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.