Detailed information for compound 1741299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.648 | Formula: C13H7ClF3NO2
  • H donors: 2 H acceptors: 2 LogP: 3.88 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)C(=O)Nc1cc(F)c(c(c1)F)F)O
  • InChi: 1S/C13H7ClF3NO2/c14-6-1-2-11(19)8(3-6)13(20)18-7-4-9(15)12(17)10(16)5-7/h1-5,19H,(H,18,20)
  • InChiKey: LKJQSPIHFJGILX-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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0841 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0633 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0841 0.0134
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.2985 0.2443
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0841 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0633 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0764 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0764 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.3073 0.2538
Onchocerca volvulus 0.0178 0.369 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.3073 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0717 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0475 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0841 1
Echinococcus granulosus neuropeptide receptor A26 0.0475 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0717 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0717 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0717 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0475 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0717 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0717 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.3073 1
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0764 1
Loa Loa (eye worm) acetyltransferase 0.0149 0.3073 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0717 0.8525
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0717 0.8525
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0841 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0841 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0717 0.8525

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1.6 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC27294 assessed as complete cessation of growth ChEMBL. 23211970

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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