Detailed information for compound 903975

Basic information

Technical information
  • TDR Targets ID: 903975
  • Name: N-(3-nitrophenyl)-2-(6-pyridin-4-ylpyridazin- 3-yl)sulfanylacetamide
  • MW: 367.382 | Formula: C17H13N5O3S
  • H donors: 1 H acceptors: 6 LogP: 2.01 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1ccc(nn1)c1ccncc1
  • InChi: 1S/C17H13N5O3S/c23-16(19-13-2-1-3-14(10-13)22(24)25)11-26-17-5-4-15(20-21-17)12-6-8-18-9-7-12/h1-10H,11H2,(H,19,23)
  • InChiKey: ZJEDATZFEALXPM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-nitrophenyl)-2-[6-(4-pyridyl)pyridazin-3-yl]sulfanyl-acetamide
  • N-(3-nitrophenyl)-2-[[6-(4-pyridyl)-3-pyridazinyl]thio]acetamide
  • N-(3-nitrophenyl)-2-[[6-(4-pyridyl)pyridazin-3-yl]thio]acetamide
  • N-(3-nitrophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-ethanamide
  • ZINC04392050

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
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0147 0.15 0.2218
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.2897
Onchocerca volvulus 0.0377 0.4461 1
Echinococcus granulosus ectonucleotide 0.0147 0.15 0.2218
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0175 0.1854 0.3669
Brugia malayi intermediate filament protein 0.0057 0.0343 0.0769
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1397 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.1541 0.3455
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0343 0.0769
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.2897
Loa Loa (eye worm) hypothetical protein 0.0147 0.15 0.3363
Loa Loa (eye worm) hypothetical protein 0.0175 0.1854 0.4156
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Schistosoma mansoni hypothetical protein 0.0165 0.1732 0.3373
Schistosoma mansoni hypothetical protein 0.0377 0.4461 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0175 0.1854 0.3669
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0105 0.0956 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.2897
Echinococcus granulosus Endonuclease G 0.0105 0.0956 0.1174
Trypanosoma cruzi endonuclease G, putative 0.0105 0.0956 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.2897
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.5559 0.5402
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.1565
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.1565
Loa Loa (eye worm) hypothetical protein 0.0056 0.033 0.0739
Echinococcus granulosus geminin 0.0165 0.1732 0.2663
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1397 0.5
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0377 0.4461 1
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.5559 1
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.5559 0.5402
Trypanosoma brucei endonuclease G, putative 0.0105 0.0956 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0343 0.0769
Echinococcus multilocularis ectonucleotide 0.0147 0.15 0.1198
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.1854 0.4156
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0175 0.1854 0.4156
Brugia malayi endonuclease G, mitochondrial precursor 0.0105 0.0956 0.2142
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.3275 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.1565
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Trypanosoma brucei endonuclease G, putative 0.0105 0.0956 0.5
Onchocerca volvulus 0.0175 0.1854 0.3669
Loa Loa (eye worm) hypothetical protein 0.0175 0.1854 0.4156
Loa Loa (eye worm) hypothetical protein 0.0057 0.0343 0.0769
Echinococcus multilocularis geminin 0.0165 0.1732 0.1439
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0343 0.0769
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1397 0.5
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0105 0.0956 0.5
Brugia malayi hypothetical protein 0.0151 0.1541 0.3455
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.3275 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.1565
Leishmania major endonuclease G, putative 0.0105 0.0956 0.5
Onchocerca volvulus 0.0151 0.1541 0.2909
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Schistosoma mansoni endonuclease related 0.0105 0.0956 0.1488
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.2897
Echinococcus granulosus neuropeptide s receptor 0.0463 0.5559 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.1565
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0147 0.15 0.1198
Trypanosoma brucei endonuclease G, putative 0.0105 0.0956 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0175 0.1854 0.3669
Schistosoma mansoni hypothetical protein 0.0165 0.1732 0.3373
Onchocerca volvulus 0.0175 0.1854 0.3669
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0175 0.1854 0.3669
Brugia malayi Thrombospondin type 1 domain containing protein 0.0377 0.4461 1
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0105 0.0956 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.3275 0.5
Echinococcus multilocularis Endonuclease G 0.0105 0.0956 0.0634
Trypanosoma cruzi endonuclease G, putative 0.0105 0.0956 0.5
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0105 0.0956 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0175 0.1854 0.1565

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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