Detailed information for compound 162388

Basic information

Technical information
  • TDR Targets ID: 162388
  • Name: (E)-5-[3-[(4-fluorophenyl)sulfonylamino]pheny l]-N-hydroxypent-2-en-4-ynamide
  • MW: 360.36 | Formula: C17H13FN2O4S
  • H donors: 3 H acceptors: 4 LogP: 2.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)/C=C/C#Cc1cccc(c1)NS(=O)(=O)c1ccc(cc1)F
  • InChi: 1S/C17H13FN2O4S/c18-14-8-10-16(11-9-14)25(23,24)20-15-6-3-5-13(12-15)4-1-2-7-17(21)19-22/h2-3,5-12,20,22H,(H,19,21)/b7-2+
  • InChiKey: VITAMFDLUUGKDU-FARCUNLSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]pent-2-en-4-ynehydroxamic acid
  • (E)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]-N-hydroxy-pent-2-en-4-ynamide

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
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.3753 0.3263
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.7672 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Loa Loa (eye worm) hypothetical protein 0.003 0.4042 0.3575
Loa Loa (eye worm) hypothetical protein 0.0011 0.1111 0.0414
Loa Loa (eye worm) heterochromatin protein 1 0.0068 1 1
Schistosoma mansoni cpg binding protein 0.0029 0.4003 0.4003
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.2104 0.1805
Echinococcus multilocularis cpg binding protein 0.0029 0.4003 0.3713
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.2241 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.2104 0.1805
Schistosoma mansoni hypothetical protein 0.0011 0.1111 0.1111
Loa Loa (eye worm) helicase 0.0011 0.1111 0.0414
Schistosoma mansoni ap endonuclease 0.0018 0.2241 0.2241
Brugia malayi Protein cec-1. 0.0011 0.1111 0.0432
Trichomonas vaginalis chromobox protein, putative 0.0068 1 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.5782 0.5622
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.2104 0.1805
Echinococcus multilocularis chromobox protein 1 0.0068 1 1
Trichomonas vaginalis chromobox protein, putative 0.0011 0.1111 0.0775
Loa Loa (eye worm) hypothetical protein 0.0038 0.5329 0.4963
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.1111 0.0775
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.2241 0.1648
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.1361 0.1361
Schistosoma mansoni chromobox protein 0.0011 0.1111 0.1111
Loa Loa (eye worm) hypothetical protein 0.0011 0.1111 0.0414
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.2241 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.1111 0.0414
Loa Loa (eye worm) hypothetical protein 0.0011 0.1111 0.0414
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.5329 0.5153
Echinococcus granulosus cpg binding protein 0.0029 0.4003 0.3713
Onchocerca volvulus 0.0028 0.3753 0.5656
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.1111 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.2241 0.5
Trichomonas vaginalis chromobox protein, putative 0.0068 1 1
Brugia malayi chromobox protein homolog 3 0.0038 0.5329 0.4973
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.2241 0.1947
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.5782 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.2241 0.1866
Schistosoma mansoni cpg binding protein 0.0028 0.3753 0.3753
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.2241 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0727 0.028
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.1571 0.1253
Echinococcus multilocularis Chromo domain 0.0011 0.1111 0.0683
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.1111 0.0432
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.2104 0.1805
Toxoplasma gondii exonuclease III APE 0.0018 0.2241 0.1722
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.5329 0.5153
Trichomonas vaginalis chromobox protein, putative 0.0041 0.5782 0.5622
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.2241 0.1947
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.1111 0.1111
Schistosoma mansoni cpg binding protein 0.0029 0.4003 0.4003
Brugia malayi Valyl-tRNA synthetase 0.0011 0.1111 0.0432
Loa Loa (eye worm) hypothetical protein 0.0011 0.1111 0.0414
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.1207 0.1207
Schistosoma mansoni chromobox protein 0.0068 1 1
Echinococcus granulosus chromobox protein 1 0.0068 1 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.1361 0.0944
Trichomonas vaginalis chromobox protein, putative 0.0011 0.1111 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Onchocerca volvulus 0.0012 0.1207 0.0205
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.2104 0.1805
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.2241 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.2104 0.1805
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.2241 1
Brugia malayi CHD4 protein 0.0013 0.1361 0.0701
Brugia malayi CXXC zinc finger family protein 0.0028 0.3753 0.3275
Trichomonas vaginalis hypothetical protein 0.0011 0.1111 0.0775
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.1111 0.0683
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.1361 0.0944
Brugia malayi SET domain containing protein 0.0012 0.1207 0.0535
Schistosoma mansoni ap endonuclease 0.0018 0.2241 0.2241
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.1111 0.0683
Trichomonas vaginalis Heterochromatin protein, putative 0.0011 0.1111 0.0775
Brugia malayi hypothetical protein 0.0011 0.1111 0.0432
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.1111 0.0432
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.2241 0.5
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.1111 0.0432
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.8664 0.8664
Schistosoma mansoni chromobox protein 0.0068 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.2241 0.5
Echinococcus granulosus chromobox protein 2 0.0011 0.1111 0.0683
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.2241 0.1866
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.359 0.3348
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Echinococcus granulosus chromobox protein 1 0.0068 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.1644 0.1328
Loa Loa (eye worm) hypothetical protein 0.0011 0.1111 0.0414
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.1361 0.0684
Schistosoma mansoni chromobox protein 0.0011 0.1111 0.1111
Onchocerca volvulus 0.003 0.4042 0.6276
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.359 0.3348
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.2241 0.5
Trichomonas vaginalis chromobox protein, putative 0.0011 0.1111 0.0775
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.1111 0.0775
Echinococcus multilocularis Chromobox protein 3 0.0011 0.1111 0.0683
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.1644 0.1328
Echinococcus granulosus Chromo domain 0.0011 0.1111 0.0683
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.1111 0.1111
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.2241 0.5
Echinococcus granulosus Chromobox protein 3 0.0011 0.1111 0.0683
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0011 0.1111 0.0414
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.1111 0.1111
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.2241 0.1632
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.2241 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.2241 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.2104 0.1805
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.5329 0.9031
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.2104 0.1805
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.1111 0.0775
Echinococcus multilocularis chromobox protein 2 0.0011 0.1111 0.0683
Echinococcus multilocularis chromobox protein 1 0.0068 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0727 0.028

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.08 uM Minimum inhibitory concentration for the inhibition of transformation in ras- transformed cells(ras/ NIH3T3) ChEMBL. 8709119
MIC (functional) = 0.08 uM Minimum inhibitory concentration for the inhibition of transformation in ras- transformed cells(ras/ NIH3T3) ChEMBL. 8709119

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

1 literature reference was collected for this gene.

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