Detailed information for compound 774134

Basic information

Technical information
  • TDR Targets ID: 774134
  • Name: ethyl (5Z)-5-[(2,3-dimethoxyphenyl)methyliden e]-2-[(4-nitrophenyl)amino]-4-oxothiophene-3- carboxylate
  • MW: 456.468 | Formula: C22H20N2O7S
  • H donors: 1 H acceptors: 4 LogP: 5.22 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])SC(=Cc2cccc(c2OC)OC)C1=O
  • InChi: 1S/C22H20N2O7S/c1-4-31-22(26)18-19(25)17(12-13-6-5-7-16(29-2)20(13)30-3)32-21(18)23-14-8-10-15(11-9-14)24(27)28/h5-12,23H,4H2,1-3H3/b17-12-
  • InChiKey: BVCWWEHZCRLFAV-ATVHPVEESA-N  

Network

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Synonyms

  • ethyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxothiophene-3-carboxylate
  • ethyl (5Z)-5-[(2,3-dimethoxyphenyl)methylene]-2-[(4-nitrophenyl)amino]-4-oxo-thiophene-3-carboxylate
  • ethyl 5-[(2,3-dimethoxyphenyl)methylene]-2-[(4-nitrophenyl)amino]-4-oxo-thiophene-3-carboxylate
  • (5Z)-5-[(2,3-dimethoxyphenyl)methylene]-2-[(4-nitrophenyl)amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester
  • 5-[(2,3-dimethoxyphenyl)methylene]-2-[(4-nitrophenyl)amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester
  • 5-(2,3-dimethoxybenzylidene)-4-keto-2-[(4-nitrophenyl)amino]thiophene-3-carboxylic acid ethyl ester
  • (5Z)-5-(2,3-dimethoxybenzylidene)-4-keto-2-[(4-nitrophenyl)amino]thiophene-3-carboxylic acid ethyl ester
  • ethyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-thiophene-3-carboxylate
  • ethyl (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-thiophene-3-carboxylate
  • STK093096

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
Trichomonas vaginalis cyclin B, putative 0.0047 0.0788 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0351 0.991 0.9903
Giardia lamblia G2/mitotic-specific cyclin B 0.0047 0.0788 1
Trichomonas vaginalis cyclin B, putative 0.0047 0.0788 1
Echinococcus multilocularis G1:S specific cyclin D1 0.0125 0.3126 0.3012
Brugia malayi P38 map kinase family protein 2 0.0351 0.991 1
Echinococcus multilocularis cyclin B 0.0047 0.0788 0.0603
Brugia malayi Cyclin, N-terminal domain containing protein 0.0125 0.3126 0.3012
Entamoeba histolytica cyclin, putative 0.0047 0.0788 1
Echinococcus granulosus G1:S specific cyclin D1 0.0125 0.3126 0.3012
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0202 0.078
Schistosoma mansoni cyclin B 0.0047 0.0788 0.0598
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0351 0.991 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0047 0.0788 0.0603
Trichomonas vaginalis cyclin B3, putative 0.0028 0.0202 0.078
Trichomonas vaginalis cyclins, putative 0.0047 0.0788 1
Trichomonas vaginalis cyclin B, putative 0.0047 0.0788 1
Trichomonas vaginalis cyclin D, putative 0.0028 0.0202 0.078
Trichomonas vaginalis cyclins, putative 0.0047 0.0788 1
Trichomonas vaginalis cyclin B, putative 0.0028 0.0202 0.078
Trichomonas vaginalis cyclins, putative 0.0047 0.0788 1
Trichomonas vaginalis cyclin B, putative 0.0047 0.0788 1
Onchocerca volvulus 0.0047 0.0788 0.5
Echinococcus granulosus mitogen activated protein kinase 14 0.0351 0.991 1
Trichomonas vaginalis cyclins, putative 0.0028 0.0202 0.078
Trichomonas vaginalis cyclins, putative 0.0047 0.0788 1
Trypanosoma brucei RNA helicase, putative 0.0354 1 1
Echinococcus granulosus cyclin B 0.0047 0.0788 0.0603
Loa Loa (eye worm) hypothetical protein 0.0047 0.0788 0.0603
Loa Loa (eye worm) hypothetical protein 0.0118 0.2924 0.2804
Toxoplasma gondii hypothetical protein 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0788 0.0603
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0351 0.991 1
Trichomonas vaginalis cyclin A, putative 0.0047 0.0788 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0351 0.991 1
Trichomonas vaginalis cyclin D, putative 0.0028 0.0202 0.078
Brugia malayi Cyclin, N-terminal domain containing protein 0.0047 0.0788 0.0603
Plasmodium falciparum cyclin 0.0028 0.0202 0.5
Schistosoma mansoni cyclin d 0.0125 0.3126 0.2984
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0351 0.991 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.3126 0.3012
Echinococcus multilocularis mitogen activated protein kinase 14 0.0351 0.991 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0351 0.991 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0351 0.991 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0351 0.991 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0351 0.991 1

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.
 
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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