Detailed information for compound 1808653

Basic information

Technical information
  • TDR Targets ID: 1808653
  • Name: 5-[(2-chlorophenoxy)methyl]-4-[[5-(2,4-dichlo rophenyl)furan-2-yl]methylideneamino]-2H-1,2, 4-triazole-3-thione
  • MW: 479.767 | Formula: C20H13Cl3N4O2S
  • H donors: 1 H acceptors: 0 LogP: 6.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=N/n1c(COc2ccccc2Cl)n[nH]c1=S
  • InChi: 1S/C20H13Cl3N4O2S/c21-12-5-7-14(16(23)9-12)17-8-6-13(29-17)10-24-27-19(25-26-20(27)30)11-28-18-4-2-1-3-15(18)22/h1-10H,11H2,(H,26,30)/b24-10+
  • InChiKey: MKLQKMMVCZPKNH-YSURURNPSA-N  

Network

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Synonyms

  • 5-[(2-chlorophenoxy)methyl]-4-[[5-(2,4-dichlorophenyl)-2-furyl]methyleneamino]-2H-1,2,4-triazole-3-thione

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
Loa Loa (eye worm) sirtuin 4 0.0018 0 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.5569 0.5569
Loa Loa (eye worm) hypothetical protein 0.0018 0 0.5
Schistosoma mansoni chromatin regulatory protein sir2 0.0055 1 1
Loa Loa (eye worm) transcriptional regulator 0.0018 0 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.5569 0.5569
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.5569 0.5569
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0055 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.5569 0.5569
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.5569 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0055 1 1
Entamoeba histolytica protein kinase, putative 0.0034 0.4321 0.4321
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0034 0.4321 0.776
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0055 1 0.5
Entamoeba histolytica protein kinase, putative 0.0034 0.4321 0.4321
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.5569 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0055 1 1
Loa Loa (eye worm) transcriptional regulator 0.0018 0 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.5569 0.5569
Mycobacterium ulcerans NAD-dependent deacetylase 0.0055 1 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0034 0.4318 0.7753
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.4321 0.4321
Entamoeba histolytica hypothetical protein 0.0039 0.5569 0.5569
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0034 0.4321 0.776
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0055 1 1
Giardia lamblia Transcriptional regulator, Sir2 family 0.0055 1 1
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0055 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0055 1 1
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) 0.0038 0.5318 0.5
Brugia malayi hypothetical protein 0.0039 0.5569 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0055 1 1
Loa Loa (eye worm) transcriptional regulator 0.0018 0 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0055 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0055 1 1
Toxoplasma gondii histone deacetylase SIR2 0.0055 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0034 0.4318 0.7753

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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