Detailed information for compound 268743

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.434 | Formula: C17H23NO4S
  • H donors: 2 H acceptors: 3 LogP: 1.85 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCCCOC(=O)C(C(O)C)NC(=O)C1Cc2c(C1)cccc2
  • InChi: 1S/C17H23NO4S/c1-11(19)15(17(21)22-7-4-8-23)18-16(20)14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,11,14-15,19,23H,4,7-10H2,1H3,(H,18,20)
  • InChiKey: SJSDDIGSEDRGPE-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
Schistosoma mansoni histone deacetylase 4 5 0.0054 0.0147 0.2285
Loa Loa (eye worm) hypothetical protein 0.0083 0.0395 0.5832
Loa Loa (eye worm) peptidase family M13 containing protein 0.0083 0.0395 0.5832
Mycobacterium ulcerans peptide deformylase 0.1212 1 1
Brugia malayi Histone deacetylase 1 0.0042 0.0046 0.0718
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0057 0.017 0.2636
Trichomonas vaginalis histone deacetylase, putative 0.0042 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.0395 0.5832
Brugia malayi histone deacetylase 3 (HD3) 0.0042 0.0046 0.0718
Echinococcus multilocularis endothelin converting enzyme 1 0.0113 0.0645 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1212 1 0.5
Schistosoma mansoni neprilysin-2 (M13 family) 0.0057 0.017 0.2636
Echinococcus granulosus histone deacetylase 0.0054 0.0147 0.1688
Trypanosoma brucei histone deacetylase, putative 0.0054 0.0147 0.0283
Trypanosoma brucei histone deacetylase 3 0.0054 0.0147 0.0283
Trichomonas vaginalis histone deacetylase, putative 0.0042 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0411 0.611
Trypanosoma cruzi histone deacetylase, putative 0.0054 0.0147 0.0283
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1212 1 1
Plasmodium falciparum peptide deformylase 0.1212 1 1
Plasmodium falciparum histone deacetylase 2 0.0054 0.0147 0.0102
Plasmodium vivax peptide deformylase, putative 0.1212 1 1
Schistosoma mansoni histone deacetylase hda2 0.0054 0.0147 0.2285
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0113 0.0645 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0411 0.611
Trypanosoma brucei Peptide deformylase 2 0.0462 0.3622 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0462 0.3622 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0161 0.1942
Entamoeba histolytica histone deacetylase, putative 0.0042 0.0046 0.5
Loa Loa (eye worm) histone deacetylase 0.0054 0.0147 0.1711
Trichomonas vaginalis histone deacetylase, putative 0.0042 0.0046 0.5
Loa Loa (eye worm) histone deacetylase 7A 0.0054 0.0147 0.1711
Loa Loa (eye worm) hypothetical protein 0.0113 0.0645 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1212 1 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0094 0.049 0.7422
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0057 0.017 0.2636
Echinococcus multilocularis histone deacetylase 6 0.0054 0.0147 0.1688
Trypanosoma cruzi histone deacetylase, putative 0.0054 0.0147 0.0283
Trichomonas vaginalis histone deacetylase, putative 0.0042 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.0395 0.5832
Onchocerca volvulus 0.0056 0.0161 0.9112
Plasmodium falciparum histone deacetylase, putative 0.0054 0.0147 0.0102
Echinococcus granulosus endothelin converting enzyme 1 0.0113 0.0645 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0042 0.0046 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0054 0.0147 0.0283
Brugia malayi Matrixin family protein 0.0063 0.0221 0.343
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0113 0.0645 1
Echinococcus granulosus histone deacetylase 6 0.0054 0.0147 0.1688
Brugia malayi histone deacetylase 1 (HD1) 0.0042 0.0046 0.0718
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0462 0.3622 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0411 0.611
Trypanosoma cruzi Peptide deformylase 2, putative 0.0462 0.3622 1
Brugia malayi Peptidase family M13 containing protein 0.0113 0.0645 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0057 0.017 0.2636
Brugia malayi Histone deacetylase family protein 0.0054 0.0147 0.2285
Loa Loa (eye worm) hypothetical protein 0.0113 0.0645 1
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0057 0.017 0.2636
Plasmodium vivax histone deacetylase, putative 0.0054 0.0147 0.0102
Toxoplasma gondii histone deacetylase HDAC1 0.0054 0.0147 0.0102
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0042 0.0046 0.5
Echinococcus multilocularis histone deacetylase 0.0054 0.0147 0.1688
Loa Loa (eye worm) matrixin family protein 0.0063 0.0221 0.2941
Toxoplasma gondii peptidase family M13 protein 0.0113 0.0645 0.0601
Echinococcus granulosus histone deacetylase 7 0.0054 0.0147 0.1688
Loa Loa (eye worm) hypothetical protein 0.0085 0.0411 0.611
Onchocerca volvulus Matrix metalloproteinase homolog 0.0058 0.0177 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0645 1
Echinococcus multilocularis histone deacetylase 6 0.0054 0.0147 0.1688
Loa Loa (eye worm) peptidase family M13 containing protein 0.0083 0.0395 0.5832
Treponema pallidum polypeptide deformylase (def) 0.1212 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0042 0.0046 0.5
Toxoplasma gondii hypothetical protein 0.1212 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0054 0.0147 0.2285
Echinococcus granulosus histone deacetylase 6 0.0054 0.0147 0.1688
Loa Loa (eye worm) histone deacetylase 3 0.0042 0.0046 0.0027
Loa Loa (eye worm) matrixin family protein 0.0058 0.0177 0.2204
Echinococcus multilocularis histone deacetylase 7 0.0054 0.0147 0.1688
Plasmodium vivax histone deacetylase 2, putative 0.0054 0.0147 0.0102
Leishmania major polypeptide deformylase-like protein, putative 0.0462 0.3622 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0094 0.049 0.7422
Loa Loa (eye worm) histone deacetylase 1 0.0042 0.0046 0.0027
Trypanosoma brucei Polypeptide deformylase 1 0.0462 0.3622 1
Schistosoma mansoni histone deacetylase 0.0042 0.0046 0.0718
Loa Loa (eye worm) hypothetical protein 0.0085 0.0411 0.611
Echinococcus granulosus histone deacetylase 6 0.0054 0.0147 0.1688
Brugia malayi Histone deacetylase family protein 0.0054 0.0147 0.2285
Trypanosoma brucei histone deacetylase 4 0.0054 0.0147 0.0283
Loa Loa (eye worm) hypothetical protein 0.0083 0.0395 0.5832
Loa Loa (eye worm) hypothetical protein 0.0042 0.0046 0.0027
Trypanosoma cruzi Peptide deformylase 2, putative 0.0462 0.3622 1
Giardia lamblia Histone deacetylase 0.0042 0.0046 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0042 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0411 0.611
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0042 0.0046 0.5
Schistosoma mansoni histone deacetylase 0.0042 0.0046 0.0718
Leishmania major histone deacetylase, putative 0.0054 0.0147 0.0283
Echinococcus multilocularis histone deacetylase 6 0.0054 0.0147 0.1688
Onchocerca volvulus Matrilysin homolog 0.0058 0.0177 1
Leishmania major histone deacetylase, putative 0.0054 0.0147 0.0283

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 10 % Tested for the inhibition of Candida GGTase I in Candida albicans at concentration of 3 microM ChEMBL. 11844687
Inhibition (binding) < 10 % Tested for the inhibition of Candida GGTase I in Candida albicans at concentration of 3 microM ChEMBL. 11844687

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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