Detailed information for compound 1596876

Basic information

Technical information
  • TDR Targets ID: 1596876
  • Name: 1-(2-methoxyphenyl)-3-(naphthalen-1-ylmethyli deneamino)thiourea
  • MW: 335.423 | Formula: C19H17N3OS
  • H donors: 2 H acceptors: 0 LogP: 4.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=S)N/N=C/c1cccc2c1cccc2
  • InChi: 1S/C19H17N3OS/c1-23-18-12-5-4-11-17(18)21-19(24)22-20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-13H,1H3,(H2,21,22,24)/b20-13+
  • InChiKey: OKTKENOBDLVYPR-DEDYPNTBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-methoxyphenyl)-3-(1-naphthylmethyleneamino)thiourea

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0186 0.0566
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0186 0.0566
Echinococcus granulosus tar DNA binding protein 0.0069 0.3239 0.3111
Echinococcus multilocularis musashi 0.0056 0.2441 0.2298
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.3289 0.3161
Echinococcus granulosus lamin 0.0056 0.2441 0.2298
Schistosoma mansoni lamin 0.0056 0.2441 0.2298
Loa Loa (eye worm) hypothetical protein 0.0026 0.0601 0.098
Echinococcus multilocularis transcription factor Dp 1 0.004 0.1485 0.1323
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0648 0.1057
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.2945 0.2811
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.3289 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0186 0.0566
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2945 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.2945 0.2811
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0186 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0186 0.0304
Loa Loa (eye worm) RNA binding protein 0.0069 0.3239 0.5285
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2945 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0186 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0186 0.5
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.3289 0.5366
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.6129 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3239 0.3111
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0846 0.138
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0186 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0186 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0186 0.0304
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.3289 0.5366
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.2945 0.8956
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0846 0.138
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2945 0.2811
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0186 0.0632
Echinococcus granulosus intermediate filament protein 0.0056 0.2441 0.2298
Loa Loa (eye worm) hypothetical protein 0.0056 0.2441 0.3983
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.2441 0.3983
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0664 0.0486
Schistosoma mansoni intermediate filament proteins 0.0056 0.2441 0.2298
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3239 0.3111
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.3289 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0601 0.098
Echinococcus multilocularis tar DNA binding protein 0.0069 0.3239 0.3111
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.2441 0.3983
Echinococcus granulosus lamin dm0 0.0056 0.2441 0.2298
Brugia malayi MH2 domain containing protein 0.0116 0.6129 1
Loa Loa (eye worm) TAR-binding protein 0.0069 0.3239 0.5285
Echinococcus granulosus transcription factor Dp 1 0.004 0.1485 0.1323
Loa Loa (eye worm) intermediate filament protein 0.0056 0.2441 0.3983
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.2945 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0664 0.0486
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.3289 0.3161
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.3289 1
Echinococcus multilocularis lamin 0.0056 0.2441 0.2298
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2945 0.2811
Onchocerca volvulus 0.0056 0.2441 0.5
Schistosoma mansoni hypothetical protein 0.0179 1 1
Echinococcus multilocularis geminin 0.0179 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.6129 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0664 0.1083
Brugia malayi TAR-binding protein 0.0069 0.3239 0.5285
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3239 0.3111
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.3289 0.3161
Onchocerca volvulus 0.0056 0.2441 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.3239 0.5285
Schistosoma mansoni lamin 0.0056 0.2441 0.2298
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2945 1
Brugia malayi RNA binding protein 0.0069 0.3239 0.5285
Brugia malayi Cytochrome P450 family protein 0.0027 0.0648 0.1057
Schistosoma mansoni hypothetical protein 0.0179 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0186 0.0566
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.3289 1
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.3239 0.5285
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3239 0.3111
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.2945 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.3289 1
Echinococcus multilocularis lamin dm0 0.0056 0.2441 0.2298
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0186 0.5
Brugia malayi intermediate filament protein 0.0056 0.2441 0.3983
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3239 0.3111
Loa Loa (eye worm) hypothetical protein 0.0055 0.2378 0.388

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.92 uM Antimelanogenic activity at alpha-MSH-stimulated mouse melanoma B16 cells after 3 days by spectrophotometry ChEMBL. 22217872
Inhibition (functional) > 100 % Antimelanogenic activity at alpha-MSH-stimulated mouse melanoma B16 cells at 10 uM after 3 days by spectrophotometry ChEMBL. 22217872

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 22217872

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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