Detailed information for compound 1029473

Basic information

Technical information
  • TDR Targets ID: 1029473
  • Name: 3,4-dichloro-N-(3,4-dichlorophenyl)diazenylan iline
  • MW: 335.016 | Formula: C12H7Cl4N3
  • H donors: 1 H acceptors: 0 LogP: 6.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1Cl)N/N=N/c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C12H7Cl4N3/c13-9-3-1-7(5-11(9)15)17-19-18-8-2-4-10(14)12(16)6-8/h1-6H,(H,17,18)
  • InChiKey: DJNJWUBWQLGVRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-dichloro-N-(3,4-dichlorophenyl)azo-aniline
  • 3,4-dichloro-N-(3,4-dichlorophenyl)azoaniline
  • (3,4-dichlorophenyl)-(3,4-dichlorophenyl)azo-amine
  • 3,4-dichloro-N-(3,4-dichlorophenyl)diazenyl-aniline
  • 14581-48-7

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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0148682 0.0266846 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0883781 1 0.5
Entamoeba histolytica carbonic anhydrase, putative 0.024458 0.153659 0.5
Onchocerca volvulus Putative sulfate transporter 0.0267631 0.184181 0.5
Echinococcus granulosus carbonic anhydrase II 0.0148682 0.0266846 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0767729 0.846341 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0425787 0.393589 0.465048
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0148682 0.0266846 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0148682 0.0266846 0.5
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0309736 0.23993 0.283491
Onchocerca volvulus 0.0267631 0.184181 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0148682 0.0266846 0.5
Echinococcus multilocularis carbonic anhydrase II 0.0148682 0.0266846 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0148682 0.0266846 0.5
Mycobacterium leprae Probable transmembrane transport protein 0.0309736 0.23993 1
Leishmania major carbonic anhydrase family protein, putative 0.024458 0.153659 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0148682 0.0266846 0.5
Mycobacterium ulcerans carbonic anhydrase 0.0883781 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0883781 1 0.5
Schistosoma mansoni carbonic anhydrase 0.024458 0.153659 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0148682 0.0266846 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.81 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days by luciferase reporter gene assay ChEMBL. 24631899
IC90 (functional) = 26.86 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days by luciferase reporter gene assay ChEMBL. 24631899
IC90 (functional) = 67.26 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition after 6 days by luciferase reporter gene assay in presence of S9 liver reaction ChEMBL. 24631899
IC99 (functional) = 72.06 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days by luciferase reporter gene assay ChEMBL. 24631899

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mycobacterium tuberculosis 24631899

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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