Detailed information for compound 1239480

Basic information

Technical information
  • TDR Targets ID: 1239480
  • Name: N-(5-methyl-1,2-oxazol-3-yl)-2-naphthalen-2-y lsulfanylacetamide
  • MW: 298.36 | Formula: C16H14N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1noc(c1)C)CSc1ccc2c(c1)cccc2
  • InChi: 1S/C16H14N2O2S/c1-11-8-15(18-20-11)17-16(19)10-21-14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,17,18,19)
  • InChiKey: BBXRMYRMSRLARV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-methylisoxazol-3-yl)-2-(2-naphthylsulfanyl)acetamide
  • N-(5-methyl-3-isoxazolyl)-2-(2-naphthylthio)acetamide
  • N-(5-methylisoxazol-3-yl)-2-(2-naphthylthio)acetamide
  • N-(5-methyl-1,2-oxazol-3-yl)-2-naphthalen-2-ylsulfanyl-ethanamide
  • MLS000568455
  • SMR000154559
  • Enamine_002773
  • IDI1_007120
  • ZINC03229449
  • Oprea1_863914
  • T0508-1031

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1574 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0 0.5
Onchocerca volvulus 0.0024 0.0033 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3506 0.3506
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3506 0.3506
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1856 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.7851 0.7851
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0033 0.0034
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.7851 0.8114
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0033 0.0033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0033 0.0034
Trypanosoma brucei unspecified product 0.0023 0 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1574 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3506 0.3506
Brugia malayi hypothetical protein 0.0024 0.0033 0.0033
Echinococcus granulosus RUN 0.0024 0.0033 0.0034
Schistosoma mansoni rab6-interacting 0.0024 0.0033 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi Doublecortin family protein 0.0024 0.0033 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3506 0.3506
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0033
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9676 1
Leishmania major DNA polymerase eta, putative 0.0023 0 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1856 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1856 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni lipoxygenase 0.0142 0.7851 0.7851
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Schistosoma mansoni polycystin 1-related 0.0024 0.0033 0.0033
Leishmania major DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.3506 0.3506
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus multilocularis RUN 0.0024 0.0033 0.0033
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1574 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3506 0.3506
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0033 0.0034
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0033 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Brugia malayi hypothetical protein 0.0024 0.0033 0.0033
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Loa Loa (eye worm) acetyltransferase 0.0175 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1856 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1856 1
Brugia malayi RNA binding protein 0.0076 0.3506 0.3506
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3506 0.3506
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0024 0.0033 0.0033
Schistosoma mansoni rab6-interacting 0.0024 0.0033 0.0033
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3506 0.3506
Onchocerca volvulus 0.0024 0.0033 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0033 0.0033
Brugia malayi TAR-binding protein 0.0076 0.3506 0.3506
Echinococcus granulosus tar DNA binding protein 0.0076 0.3506 0.3623
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Schistosoma mansoni loxhd1 0.0024 0.0033 0.0033
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1856 0.1918
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3506 0.3506
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3506 0.3506
Schistosoma mansoni lipoxygenase 0.01 0.5026 0.5026
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0033 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

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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