Detailed information for compound 1420739

Basic information

Technical information
  • TDR Targets ID: 1420739
  • Name: N-[4-(2-oxo-3-prop-2-enyl-6H-1,3,4-thiadiazin -5-yl)phenyl]benzamide
  • MW: 351.422 | Formula: C19H17N3O2S
  • H donors: 1 H acceptors: 2 LogP: 3.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1N=C(CSC1=O)c1ccc(cc1)NC(=O)c1ccccc1
  • InChi: 1S/C19H17N3O2S/c1-2-12-22-19(24)25-13-17(21-22)14-8-10-16(11-9-14)20-18(23)15-6-4-3-5-7-15/h2-11H,1,12-13H2,(H,20,23)
  • InChiKey: ICYNVKJTVHESNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(3-allyl-2-oxo-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide
  • N-[4-(3-allyl-2-keto-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide
  • ZINC00721931
  • MLS000756100
  • N-[4-(3-allyl-2-oxo-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl)phenyl]benzamide
  • SMR000225939

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
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 intermediate filament proteins 0.0033 0.4129 0.3011
Giardia lamblia DINP protein human, muc B family 0.0023 0.16 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.71 0.6547
Entamoeba histolytica hypothetical protein 0.0043 0.71 1
Entamoeba histolytica hypothetical protein 0.0043 0.71 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.16 0.16
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.16 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.71 1
Schistosoma mansoni lamin 0.0033 0.4129 0.3011
Schistosoma mansoni DNA polymerase eta 0.0054 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.71 0.6547
Echinococcus multilocularis dna polymerase eta 0.0054 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.5611 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.16 0.16
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.5611 0.4775
Echinococcus granulosus intermediate filament protein 0.0033 0.4129 0.3011
Echinococcus granulosus lamin 0.0033 0.4129 0.3011
Loa Loa (eye worm) intermediate filament protein 0.0033 0.4129 0.4129
Brugia malayi intermediate filament protein 0.0033 0.4129 0.4129
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.71 0.6547
Trypanosoma brucei DNA polymerase eta, putative 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.4129 0.4129
Schistosoma mansoni lamin 0.0033 0.4129 0.3011
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.71 0.6547
Onchocerca volvulus 0.0033 0.4129 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.16 0.5
Brugia malayi hypothetical protein 0.0043 0.71 0.71
Leishmania major DNA polymerase eta, putative 0.0054 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.16 0.5
Onchocerca volvulus 0.0033 0.4129 0.5
Echinococcus multilocularis musashi 0.0033 0.4129 0.3011
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.4129 0.4129
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.16 0.5
Echinococcus granulosus dna polymerase eta 0.0054 1 1
Leishmania major DNA polymerase eta, putative 0.0038 0.5611 0.4775
Echinococcus granulosus lamin dm0 0.0033 0.4129 0.3011
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.16 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.4129 0.3011
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.4129 0.4129
Loa Loa (eye worm) hypothetical protein 0.0032 0.3966 0.3966
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.16 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.71 1
Echinococcus multilocularis lamin 0.0033 0.4129 0.3011
Loa Loa (eye worm) hypothetical protein 0.0054 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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