Detailed information for compound 1427974

Basic information

Technical information
  • TDR Targets ID: 1427974
  • Name: 5-(1,3-benzodioxol-5-yl)-2-methyl-N-(2-methyl sulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3 -carboxamide
  • MW: 431.485 | Formula: C19H17N3O5S2
  • H donors: 1 H acceptors: 3 LogP: 2.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccccc1NC(=O)C1=CC(=NS(=O)(=O)N1C)c1ccc2c(c1)OCO2
  • InChi: 1S/C19H17N3O5S2/c1-22-15(19(23)20-13-5-3-4-6-18(13)28-2)10-14(21-29(22,24)25)12-7-8-16-17(9-12)27-11-26-16/h3-10H,11H2,1-2H3,(H,20,23)
  • InChiKey: FXEQKLASQRPKCQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(1,3-benzodioxol-5-yl)-2-methyl-N-[2-(methylthio)phenyl]-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
  • 5-(1,3-benzodioxol-5-yl)-1,1-diketo-2-methyl-N-[2-(methylthio)phenyl]-1,2,6-thiadiazine-3-carboxamide
  • E135-0920
  • NCGC00120431-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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 TAR-binding protein 0.0065 0.022 0.0306
Loa Loa (eye worm) hypothetical protein 0.0148 0.0865 1
Brugia malayi Muscleblind-like protein 0.0148 0.0865 0.1204
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.036 0.2521 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.022 0.0306
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Echinococcus granulosus muscleblind protein 0.0148 0.0865 0.1394
Mycobacterium leprae conserved hypothetical protein 0.0037 0 0.5
Echinococcus multilocularis muscleblind protein 0.0148 0.0865 0.1394
Loa Loa (eye worm) TAR-binding protein 0.0065 0.022 0.2545
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Mycobacterium ulcerans lipase LipD 0.0037 0 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.036 0.2521 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.022 0.0355
Mycobacterium ulcerans beta-lactamase 0.0037 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.0865 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.022 0.0355
Leishmania major telomerase reverse transcriptase, putative 0.036 0.2521 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.022 0.0355
Brugia malayi Telomerase reverse transcriptase 0.0959 0.7189 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.036 0.2521 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.022 0.0355
Giardia lamblia Telomerase catalytic subunit 0.036 0.2521 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.022 0.2545
Echinococcus granulosus microtubule associated protein 2 0.0833 0.621 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.022 0.0355
Echinococcus multilocularis muscleblind protein 1 0.0148 0.0865 0.1394
Loa Loa (eye worm) RNA binding protein 0.0065 0.022 0.2545
Mycobacterium leprae Probable lipase LipE 0.0037 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0065 0.022 0.0355
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Brugia malayi RNA binding protein 0.0065 0.022 0.0306
Mycobacterium ulcerans hypothetical protein 0.0037 0 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.1563 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.022 0.0355
Trypanosoma brucei telomerase reverse transcriptase 0.036 0.2521 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.621 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.621 1
Plasmodium falciparum telomerase reverse transcriptase 0.036 0.2521 0.5
Trichomonas vaginalis esterase, putative 0.0037 0 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.036 0.2521 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.