Detailed information for compound 1416369

Basic information

Technical information
  • TDR Targets ID: 1416369
  • Name: 3-oxo-N-(1-phenylethyl)-4-prop-2-enyl-1,4-ben zothiazine-6-carboxamide
  • MW: 352.45 | Formula: C20H20N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1C(=O)CSc2c1cc(cc2)C(=O)NC(c1ccccc1)C
  • InChi: 1S/C20H20N2O2S/c1-3-11-22-17-12-16(9-10-18(17)25-13-19(22)23)20(24)21-14(2)15-7-5-4-6-8-15/h3-10,12,14H,1,11,13H2,2H3,(H,21,24)
  • InChiKey: YGUDVUAWYYHWFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-allyl-3-oxo-N-(1-phenylethyl)-1,4-benzothiazine-6-carboxamide
  • 4-allyl-3-keto-N-(1-phenylethyl)-1,4-benzothiazine-6-carboxamide
  • EU-0097017

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Brugia malayi RNA, U transporter 1 0.0099 0.0123 0.0079
Echinococcus granulosus tissue type plasminogen activator 0.0172 0.0788 0.1808
Echinococcus granulosus snurportin 1 0.0372 0.2621 0.8671
Plasmodium falciparum cysteine repeat modular protein 1 0.0172 0.0788 0.5
Toxoplasma gondii kringle domain-containing protein 0.0172 0.0788 0.0921
Loa Loa (eye worm) hypothetical protein 0.009 0.0044 0.0044
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.176 0.5
Leishmania major hypothetical protein, conserved 0.0172 0.0788 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0172 0.0788 0.1808
Brugia malayi Kringle domain containing protein 0.0172 0.0788 0.0748
Loa Loa (eye worm) hypothetical protein 0.009 0.0044 0.0044
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2621 0.2621
Loa Loa (eye worm) PAN domain-containing protein 0.009 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0117 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.009 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0172 0.0788 0.0761
Loa Loa (eye worm) hypothetical protein 0.009 0.0044 0.0044
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0117 0.0291 0.0248
Loa Loa (eye worm) PAN domain-containing protein 0.009 0.0044 0.0044
Onchocerca volvulus 0.1177 1 1
Loa Loa (eye worm) PAN domain-containing protein 0.009 0.0044 0.0044
Loa Loa (eye worm) integrin alpha pat-2 0.0239 0.1407 0.1407
Echinococcus multilocularis snurportin 1 0.0372 0.2621 0.8671
Loa Loa (eye worm) hypothetical protein 0.1177 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.041 0.2976 1
Trypanosoma cruzi hypothetical protein, conserved 0.0172 0.0788 0.5
Toxoplasma gondii PAN domain-containing protein 0.0972 0.8122 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0044 0.0044
Echinococcus granulosus neuropeptides capa receptor 0.041 0.2976 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0172 0.0788 0.0788
Loa Loa (eye worm) hypothetical protein 0.009 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0122 0.0332 0.0332
Loa Loa (eye worm) PAN domain-containing protein 0.009 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0372 0.2621 1
Brugia malayi Integrin alpha pat-2 precursor 0.0155 0.0637 0.0596
Brugia malayi Protein kinase domain containing protein 0.0172 0.0788 0.0748
Loa Loa (eye worm) PAN domain-containing protein 0.009 0.0044 0.0044
Onchocerca volvulus 0.0172 0.0788 0.0748
Loa Loa (eye worm) hypothetical protein 0.0172 0.0788 0.0788
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0172 0.0788 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.0044 0.0044
Toxoplasma gondii PAN domain-containing protein 0.0972 0.8122 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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