Detailed information for compound 729577

Basic information

Technical information
  • TDR Targets ID: 729577
  • Name: 1-(3-fluoro-4-methoxyphenyl)sulfonylazepane
  • MW: 287.35 | Formula: C13H18FNO3S
  • H donors: 0 H acceptors: 2 LogP: 2.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1F)S(=O)(=O)N1CCCCCC1
  • InChi: 1S/C13H18FNO3S/c1-18-13-7-6-11(10-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
  • InChiKey: FBOSGBORGMICGW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-fluoro-4-methoxy-phenyl)sulfonylazepane
  • ZINC06747087

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
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0578 0.5
Trichomonas vaginalis esterase, putative 0.0074 0.0578 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0578 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0578 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0578 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0578 0.1293
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1331 0.3895
Echinococcus multilocularis tumor protein p63 0.0381 0.7896 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.1331 0.3895
Onchocerca volvulus 0.0074 0.0578 0.1545
Loa Loa (eye worm) hypothetical protein 0.0074 0.0578 0.1691
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0578 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0578 0.1691
Brugia malayi TAR-binding protein 0.0193 0.3416 1
Schistosoma mansoni hypothetical protein 0.0072 0.0539 0.1174
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0 0.5
Brugia malayi beta-lactamase family protein 0.0074 0.0578 0.1691
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0578 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0578 0.1691
Mycobacterium ulcerans beta-lactamase 0.0074 0.0578 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.3416 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3416 1
Brugia malayi beta-lactamase family protein 0.0074 0.0578 0.1691
Loa Loa (eye worm) hypothetical protein 0.0171 0.2884 0.8441
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.3416 1
Toxoplasma gondii ABC1 family protein 0.0074 0.0578 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1331 0.3895
Brugia malayi RNA binding protein 0.0193 0.3416 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3416 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0578 0.1691
Loa Loa (eye worm) hypothetical protein 0.0072 0.0539 0.1578
Loa Loa (eye worm) hypothetical protein 0.0074 0.0578 0.1691
Loa Loa (eye worm) beta-lactamase 0.0074 0.0578 0.1691
Mycobacterium ulcerans lipase LipD 0.0074 0.0578 0.5
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3416 1
Onchocerca volvulus 0.0171 0.2884 1
Mycobacterium leprae Probable lipase LipE 0.0074 0.0578 0.5
Echinococcus multilocularis tar DNA binding protein 0.0193 0.3416 0.3879
Loa Loa (eye worm) hypothetical protein 0.0074 0.0578 0.1691
Brugia malayi beta-lactamase 0.0074 0.0578 0.1691
Onchocerca volvulus 0.0074 0.0578 0.1545
Loa Loa (eye worm) hypothetical protein 0.0056 0.0156 0.0458
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0539 0.1578
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0578 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3416 1
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0578 1
Mycobacterium ulcerans hypothetical protein 0.0074 0.0578 0.5
Brugia malayi hypothetical protein 0.0171 0.2884 0.8441
Onchocerca volvulus 0.0074 0.0578 0.1545
Echinococcus granulosus tar DNA binding protein 0.0193 0.3416 0.3879
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1331 0.3895
Loa Loa (eye worm) RNA binding protein 0.0193 0.3416 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0578 0.1691
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0578 0.1691
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0578 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0578 0.1293
Leishmania major hypothetical protein, conserved 0.0074 0.0578 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3416 1
Loa Loa (eye worm) TAR-binding protein 0.0193 0.3416 1
Echinococcus granulosus tumor protein p63 0.0381 0.7896 1
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0578 0.5

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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