Detailed information for compound 1809539

Basic information

Technical information
  • TDR Targets ID: 1809539
  • Name: (2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino )-2-oxoethyl]hexanoyl]-N-(2-hydroxybutyl)pyrr olidine-2-carboxamide
  • MW: 375.436 | Formula: C17H30FN3O5
  • H donors: 4 H acceptors: 5 LogP: 1.05 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@H]([C@@H](C(=O)NO)F)C(=O)N1CCC[C@H]1C(=O)NCC(CC)O
  • InChi: 1S/C17H30FN3O5/c1-3-5-7-12(14(18)16(24)20-26)17(25)21-9-6-8-13(21)15(23)19-10-11(22)4-2/h11-14,22,26H,3-10H2,1-2H3,(H,19,23)(H,20,24)/t11?,12-,13+,14+/m1/s1
  • InChiKey: ZWAGHAOKLTZRCM-LHBNMAMBSA-N  

Network

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Synonyms

  • (2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxo-ethyl]hexanoyl]-N-(2-hydroxybutyl)pyrrolidine-2-carboxamide
  • (2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]-1-oxohexyl]-N-(2-hydroxybutyl)-2-pyrrolidinecarboxamide
  • (2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-keto-ethyl]hexanoyl]-N-(2-hydroxybutyl)pyrrolidine-2-carboxamide

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 tyrosine kinase 0.0169 0.1684 0.162
Schistosoma mansoni histone deacetylase 4 5 0.0394 0.7053 0.7031
Echinococcus multilocularis histone deacetylase 6 0.0394 0.7053 0.7053
Loa Loa (eye worm) histone deacetylase 1 0.0517 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0171 0.1727 0.1663
Loa Loa (eye worm) hypothetical protein 0.0167 0.1645 0.1581
Toxoplasma gondii histone deacetylase HDAC3 0.0517 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0517 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0517 1 0.5
Brugia malayi Histone deacetylase family protein 0.0394 0.7053 0.7031
Trichomonas vaginalis histone deacetylase, putative 0.0517 1 0.5
Leishmania major histone deacetylase, putative 0.0517 1 1
Entamoeba histolytica histone deacetylase, putative 0.0517 1 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0394 0.7053 0.5753
Plasmodium vivax histone deacetylase 2, putative 0.0394 0.7053 0.5753
Trypanosoma brucei histone deacetylase 3 0.0394 0.7053 0.5753
Loa Loa (eye worm) hypothetical protein 0.0174 0.1807 0.1744
Echinococcus multilocularis insulin receptor 0.0101 0.0076 0.0076
Echinococcus multilocularis histone deacetylase 6 0.04 0.7215 0.7215
Echinococcus multilocularis epidermal growth factor receptor 0.0171 0.1727 0.1727
Echinococcus multilocularis epidermal growth factor receptor 0.0317 0.5234 0.5234
Loa Loa (eye worm) histone deacetylase 3 0.0517 1 1
Plasmodium vivax histone deacetylase 1, putative 0.0517 1 1
Brugia malayi Histone deacetylase family protein 0.0394 0.7053 0.7031
Trichomonas vaginalis histone deacetylase, putative 0.0517 1 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0517 1 0.5
Giardia lamblia Histone deacetylase 0.0517 1 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0517 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0517 1 0.5
Toxoplasma gondii histone deacetylase HDAC1 0.0394 0.7053 0.5753
Loa Loa (eye worm) histone deacetylase 7A 0.0394 0.7053 0.7031
Brugia malayi histone deacetylase 11 0.0226 0.3062 0.3008
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0517 1 0.5
Plasmodium vivax histone deacetylase, putative 0.0394 0.7053 0.5753
Echinococcus granulosus histone deacetylase 6 0.0394 0.7053 0.7031
Schistosoma mansoni histone deacetylase 4 5 0.0394 0.7053 0.7031
Schistosoma mansoni tyrosine kinase 0.0171 0.1727 0.1663
Leishmania major histone deacetylase, putative 0.0517 1 1
Loa Loa (eye worm) histone deacetylase 0.0394 0.7053 0.7031
Loa Loa (eye worm) hypothetical protein 0.0517 1 1
Brugia malayi Histone deacetylase 1 0.0517 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0317 0.5234 0.5198
Echinococcus multilocularis histone deacetylase 8 0.0226 0.3062 0.3062
Brugia malayi histone deacetylase 1 (HD1) 0.0517 1 1
Echinococcus granulosus histone deacetylase 0.0394 0.7053 0.7031
Schistosoma mansoni tyrosine kinase 0.0171 0.1727 0.1663
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0171 0.1727 0.1663
Echinococcus granulosus histone deacetylase 7 0.0394 0.7053 0.7031
Trypanosoma cruzi histone deacetylase 1, putative 0.0517 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0517 1 0.5
Schistosoma mansoni tyrosine kinase 0.0169 0.1684 0.162
Echinococcus granulosus histone deacetylase 8 0.0226 0.3062 0.3008
Echinococcus granulosus histone deacetylase 6 0.04 0.7215 0.7193
Brugia malayi Furin-like cysteine rich region family protein 0.0317 0.5234 0.5198
Schistosoma mansoni histone deacetylase hda2 0.04 0.7215 0.7193
Echinococcus granulosus histone deacetylase 1 0.0517 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0101 0.0076 0.0076
Trichomonas vaginalis histone deacetylase, putative 0.0517 1 0.5
Echinococcus multilocularis histone deacetylase 0.0394 0.7053 0.7053
Trypanosoma brucei histone deacetylase 4 0.0394 0.7053 0.5753
Schistosoma mansoni tyrosine kinase 0.0317 0.5234 0.5198
Loa Loa (eye worm) hypothetical protein 0.0226 0.3062 0.3008
Schistosoma mansoni histone deacetylase 0.0517 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0226 0.3062 0.5
Toxoplasma gondii histone deacetylase HDAC2 0.0517 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0394 0.7053 0.5753
Trypanosoma cruzi histone deacetylase, putative 0.0394 0.7053 0.5753
Schistosoma mansoni histone deacetylase 1 2 3 0.0226 0.3062 0.3008
Schistosoma mansoni histone deacetylase 0.0517 1 1
Trypanosoma brucei histone deacetylase 1 0.0517 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0226 0.3062 0.3008
Plasmodium falciparum histone deacetylase 1 0.0517 1 1
Schistosoma mansoni tyrosine kinase 0.0169 0.1684 0.162
Echinococcus multilocularis histone deacetylase 3 0.0517 1 1
Echinococcus multilocularis histone deacetylase 6 0.0394 0.7053 0.7053
Echinococcus multilocularis histone deacetylase 1 0.0517 1 1
Echinococcus granulosus histone deacetylase 6 0.0394 0.7053 0.7031
Schistosoma mansoni histone deacetylase hda2 0.0226 0.3062 0.3008
Trypanosoma brucei histone deacetylase, putative 0.0394 0.7053 0.5753
Echinococcus granulosus histone deacetylase 3 0.0517 1 1
Echinococcus multilocularis histone deacetylase 7 0.0394 0.7053 0.7053
Loa Loa (eye worm) TK/EGFR protein kinase 0.0317 0.5234 0.5198

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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