Detailed information for compound 1082326

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.837 | Formula: C18H13ClF2N4S
  • H donors: 2 H acceptors: 1 LogP: 4.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1c(F)cccc1F)N/N=C/c1cc2cccc(c2nc1Cl)C
  • InChi: 1S/C18H13ClF2N4S/c1-10-4-2-5-11-8-12(17(19)23-15(10)11)9-22-25-18(26)24-16-13(20)6-3-7-14(16)21/h2-9H,1H3,(H2,24,25,26)/b22-9+
  • InChiKey: AURMAWUNSSAAFA-LSFURLLWSA-N  


Substructure search Similarity search

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
Echinococcus granulosus lamin 0.0029 0.2902 0.2902
Schistosoma mansoni intermediate filament proteins 0.0029 0.2902 0.2902
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.2902 0.2902
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.7163 0.7163
Echinococcus multilocularis lamin 0.0029 0.2902 0.2902
Onchocerca volvulus 0.0029 0.2902 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0.102 0.5
Echinococcus multilocularis tar DNA binding protein 0.0061 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.102 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Brugia malayi intermediate filament protein 0.0029 0.2902 0.2902
Echinococcus multilocularis lamin dm0 0.0029 0.2902 0.2902
Schistosoma mansoni ap endonuclease 0.002 0.102 0.102
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.2902 0.2902
Onchocerca volvulus 0.0029 0.2902 0.5
Schistosoma mansoni lamin 0.0029 0.2902 0.2902
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.7163 0.7163
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.102 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.102 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.102 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.7163 0.7163
Echinococcus granulosus intermediate filament protein 0.0029 0.2902 0.2902
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.102 0.5
Brugia malayi TAR-binding protein 0.0061 1 1
Schistosoma mansoni lamin 0.0029 0.2902 0.2902
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.102 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0061 1 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.102 0.5
Toxoplasma gondii exonuclease III APE 0.002 0.102 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3848 0.3848
Schistosoma mansoni ap endonuclease 0.002 0.102 0.102
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.102 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.3848 0.3848
Echinococcus multilocularis musashi 0.0029 0.2902 0.2902
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.102 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.102 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.102 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0015 0.0015
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.102 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.102 0.102
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.102 0.102
Loa Loa (eye worm) hypothetical protein 0.0028 0.2788 0.2788
Loa Loa (eye worm) TAR-binding protein 0.0061 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.102 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.2902 0.2902
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.7163 0.7163
Echinococcus granulosus tar DNA binding protein 0.0061 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Echinococcus granulosus lamin dm0 0.0029 0.2902 0.2902
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.102 0.102
Loa Loa (eye worm) intermediate filament protein 0.0029 0.2902 0.2902
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.102 0.102
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Loa Loa (eye worm) RNA binding protein 0.0061 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0033 0.3848 0.3848
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 14.72 mm Antibacterial activity against Escherichia coli measured at MIC after 18 hrs by halo zone test ChEMBL. 21530014
MIC (functional) = 64 ug ml-1 Antibacterial activity against Escherichia coli after 18 hrs by macro-dilution test ChEMBL. 21530014

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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