Detailed information for compound 837683

Basic information

Technical information
  • TDR Targets ID: 837683
  • Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-6,7-dimet hyl-4-oxochromene-2-carboxamide
  • MW: 380.417 | Formula: C20H16N2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.08 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)sc(n2)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)C)C
  • InChi: 1S/C20H16N2O4S/c1-10-6-13-15(23)9-17(26-16(13)7-11(10)2)19(24)22-20-21-14-5-4-12(25-3)8-18(14)27-20/h4-9H,1-3H3,(H,21,22,24)
  • InChiKey: QZMMQTSIXLFUGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-methoxy-1,3-benzothiazol-2-yl)-6,7-dimethyl-4-oxo-chromene-2-carboxamide
  • N-(6-methoxy-1,3-benzothiazol-2-yl)-6,7-dimethyl-4-oxo-2-chromenecarboxamide
  • 4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-6,7-dimethyl-chromene-2-carboxamide
  • ZINC05348620
  • STOCK5S-93052
  • D103-2017
  • NCGC00115778-01

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
Echinococcus granulosus microtubule associated protein 2 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative 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
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
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.034 0.0211 0.0211
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0369 0.0357 0.5
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Brugia malayi RasGEF domain containing protein 0.0622 0.1645 0.2015
Entamoeba histolytica protein kinase, putative 0.0369 0.0357 0.5
Echinococcus multilocularis serine:threonine protein kinase 38 0.0369 0.0357 0.0357
Echinococcus multilocularis serine threonine protein kinase 0.1975 0.8521 0.8521
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0369 0.0357 0.0357
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.1556 0.6392 0.6392
Loa Loa (eye worm) AGC/PKN protein kinase 0.0369 0.0357 0.0454
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.1613 0.6684 0.8492
Loa Loa (eye worm) hypothetical protein 0.0412 0.0573 0.0728
Brugia malayi p70 ribosomal S6 kinase beta 0.0369 0.0357 0.0438
Schistosoma mansoni serine/threonine protein kinase 0.0369 0.0357 0.0357
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0369 0.0357 0.0357
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0369 0.0357 0.0454
Loa Loa (eye worm) hypothetical protein 0.0412 0.0573 0.0728
Brugia malayi protein kinase C II. 0.071 0.2089 0.2559
Schistosoma mansoni unc-13 (munc13) 0.034 0.0211 0.0211
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0369 0.0357 0.0357
Schistosoma mansoni serine/threonine protein kinase 0.0369 0.0357 0.0357
Brugia malayi Protein kinase domain containing protein 0.0369 0.0357 0.0438
Echinococcus multilocularis unc 13 (munc13) 0.034 0.0211 0.0211
Schistosoma mansoni serine/threonine kinase 0.0369 0.0357 0.0357
Schistosoma mansoni serine/threonine protein kinase 0.2266 1 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0369 0.0357 0.0454
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.071 0.2089 0.2654
Entamoeba histolytica protein kinase, putative 0.0369 0.0357 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0369 0.0357 0.0454
Loa Loa (eye worm) hypothetical protein 0.0703 0.2052 0.2607
Schistosoma mansoni atypical protein kinase C 0.066 0.1837 0.1837
Entamoeba histolytica protein kinase, putative 0.0369 0.0357 0.5
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Loa Loa (eye worm) hypothetical protein 0.1847 0.7871 1
Echinococcus multilocularis protein kinase c epsilon type 0.071 0.2089 0.2089
Loa Loa (eye worm) hypothetical protein 0.1556 0.6392 0.8121
Loa Loa (eye worm) hypothetical protein 0.0412 0.0573 0.0728
Echinococcus granulosus NDR protein kinase 0.0369 0.0357 0.0357
Echinococcus multilocularis Protein kinase C, brain isozyme 0.2266 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2717 0.2717
Brugia malayi Hr1 repeat family protein 0.0369 0.0357 0.0438
Brugia malayi Protein kinase c protein 2 0.1904 0.8163 1
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0369 0.0357 0.0357
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Brugia malayi Protein kinase domain containing protein 0.0369 0.0357 0.0438
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2717 0.2717
Loa Loa (eye worm) hypothetical protein 0.0781 0.245 0.3113
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0369 0.0357 0.0454
Echinococcus granulosus unc 13 munc13 0.034 0.0211 0.0211
Echinococcus multilocularis RNA directed DNA polymerase 0.1556 0.6392 0.6392
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0369 0.0357 0.0357
Toxoplasma gondii AGC kinase 0.0369 0.0357 0.5
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0369 0.0357 0.0454
Echinococcus granulosus protein kinase C gamma type 0.1975 0.8521 0.8521
Schistosoma mansoni serine/threonine protein kinase 0.071 0.2089 0.2089
Echinococcus granulosus C2 calcium dependent membrane targeting 0.034 0.0211 0.0211
Echinococcus multilocularis protein kinase c iota type 0.066 0.1837 0.1837
Echinococcus granulosus protein kinase c iota type 0.066 0.1837 0.1837
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0369 0.0357 0.0357
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0369 0.0357 0.0357
Schistosoma mansoni protein kinase C 0.034 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.034 0.0211 0.0269
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0369 0.0357 0.0357
Brugia malayi Protein kinase domain containing protein 0.0369 0.0357 0.0438
Onchocerca volvulus 0.0412 0.0573 1
Schistosoma mansoni unc-13 (munc13) 0.034 0.0211 0.0211
Echinococcus granulosus protein kinase c epsilon type 0.071 0.2089 0.2089
Echinococcus multilocularis serine:threonine protein kinase N2 0.0369 0.0357 0.0357
Loa Loa (eye worm) RasGEF domain-containing protein 0.0914 0.3128 0.3974
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2717 0.2717
Schistosoma mansoni serine/threonine protein kinase 0.0369 0.0357 0.0357
Loa Loa (eye worm) AGC/NDR protein kinase 0.0369 0.0357 0.0454
Entamoeba histolytica protein kinase, putative 0.0369 0.0357 0.5
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Echinococcus granulosus RNA directed DNA polymerase 0.1556 0.6392 0.6392
Schistosoma mansoni serine/threonine protein kinase 0.2266 1 1
Trichomonas vaginalis AGC family protein kinase 0.0369 0.0357 1
Schistosoma mansoni serine/threonine protein kinase 0.0369 0.0357 0.0357

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 5.0119 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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