Detailed information for compound 892833

Basic information

Technical information
  • TDR Targets ID: 892833
  • Name: N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
  • MW: 300.309 | Formula: C16H16N2O4
  • H donors: 1 H acceptors: 3 LogP: 3.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C
  • InChi: 1S/C16H16N2O4/c1-3-22-14-8-6-13(7-9-14)17-16(19)12-5-4-11(2)15(10-12)18(20)21/h4-10H,3H2,1-2H3,(H,17,19)
  • InChiKey: QLCUKSIHWAZWHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-ethoxyphenyl)-4-methyl-3-nitro-benzamide
  • BIM-0009538.P001
  • CBMicro_009462
  • ZINC00102939
  • Oprea1_162695
  • ST011085

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 conserved hypothetical protein 0.0007 0.0315 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0691 0.0565
Mycobacterium ulcerans amidase 0.0012 0.0886 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0691 0.0565
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0691 0.063
Schistosoma mansoni fatty-acid amide hydrolase 0.0012 0.0886 0.0825
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0691 0.063
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0012 0.0886 0.5
Brugia malayi putative amidase 0.0012 0.0886 0.0762
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0193 0.0061
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0133 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0691 0.0565
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0691 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0691 0.0565
Brugia malayi ecdysteroid receptor 0.001 0.0691 0.0565
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0691 0.063
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0133 0.0068
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0691 0.0565
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0133 0.0068
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0691 0.063
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.5998 0.5972
Brugia malayi nuclear receptor NHR-88 0.001 0.0691 0.0565
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0381 0.0251
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0315 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0012 0.0886 0.5
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0012 0.0886 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0315 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0691 0.0565
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0691 0.0565
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0691 0.0565
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0886 0.5
Schistosoma mansoni coup transcription factor 0.001 0.0691 0.063
Brugia malayi Amidase family protein 0.0012 0.0886 0.0762
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4413 0.4338
Brugia malayi Amidase family protein 0.0012 0.0886 0.0762
Schistosoma mansoni fatty-acid amide hydrolase 0.01 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0691 0.0565
Schistosoma mansoni cpg binding protein 0.003 0.2806 0.2759
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0691 0.0565
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0691 0.2229
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0691 0.063
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4413 0.4338
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0563 0.0436
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0315 1
Loa Loa (eye worm) amidase 0.0012 0.0886 0.0762
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0012 0.0886 0.0762
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0691 0.0565
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0691 0.2229
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.5318 0.5
Brugia malayi hypothetical protein 0.0005 0.0193 0.0061
Schistosoma mansoni cpg binding protein 0.0029 0.2635 0.2586
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.2635 0.2536
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0315 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0012 0.0886 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0691 0.0565
Trypanosoma cruzi amidase, putative 0.0012 0.0886 0.5
Trypanosoma cruzi amidase, putative 0.0012 0.0886 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0315 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0315 1
Schistosoma mansoni nuclear receptor 0.0005 0.0133 0.0068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4413 0.4338
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0691 0.0565
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0381 0.0251
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0193 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4413 0.4376
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0691 0.0565
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0691 0.0565
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0012 0.0886 0.0762
Echinococcus multilocularis cpg binding protein 0.003 0.2806 0.2709
Loa Loa (eye worm) hypothetical protein 0.01 1 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0886 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 1 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0012 0.0886 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0193 0.0061
Leishmania major hypothetical protein, conserved 0.0012 0.0886 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 0.0691 0.063
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0691 0.0565
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0563 0.0436
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0691 0.0565
Brugia malayi nuclear hormone receptor 0.001 0.0691 0.0565
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0691 0.0565
Echinococcus granulosus cpg binding protein 0.003 0.2806 0.2709
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0886 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0691 0.0565
Schistosoma mansoni nuclear hormone receptor 0.001 0.0691 0.063
Mycobacterium ulcerans amidase 0.0012 0.0886 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0381 0.0317
Echinococcus granulosus FTZ F1 alpha 0.001 0.0691 0.0565
Brugia malayi hypothetical protein 0.0005 0.0193 0.0061
Mycobacterium ulcerans peptide amidase, GatA 0.0012 0.0886 0.5
Schistosoma mansoni cpg binding protein 0.003 0.2806 0.2759
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0691 0.0565
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0133 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0691 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0381 0.0251
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0563 0.0436
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0552 0.0424
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0691 0.0565
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0691 0.0565
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0691 0.0565
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0691 0.0565
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Brugia malayi steroid hormone receptor 0.001 0.0691 0.0565
Schistosoma mansoni zinc finger protein 0.0005 0.0133 0.0068
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0012 0.0886 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0691 0.0565
Echinococcus granulosus fatty acid amide hydrolase 1 0.0012 0.0886 0.0762
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0193 0.0061
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0886 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0193 0.0061
Loa Loa (eye worm) hypothetical protein 0.0005 0.0193 0.0061
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.4413 0.4338
Loa Loa (eye worm) hypothetical protein 0.0005 0.0193 0.0061
Brugia malayi nuclear receptor RXR 0.0005 0.0193 0.0061
Schistosoma mansoni thyroid hormone receptor 0.001 0.0691 0.063
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0691 0.063
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0886 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0193 0.0128
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0691 0.0565
Loa Loa (eye worm) hypothetical protein 0.0005 0.0193 0.0061
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0691 0.0565
Schistosoma mansoni nuclear receptor 0.0005 0.0133 0.0068
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0691 0.0565
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4413 0.4376
Loa Loa (eye worm) amidase 0.0012 0.0886 0.0762
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0012 0.0886 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0133 0.0068
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0691 0.0565
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0886 0.0825
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.4413 0.4338
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0691 0.063
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0691 0.0565
Mycobacterium ulcerans amidase 0.0012 0.0886 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0691 0.0565
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0691 0.0565
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0691 0.0565
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0691 0.0565
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0012 0.0886 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0691 0.0565
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0315 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0691 0.0565
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0691 0.0565
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0691 0.0565
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0691 0.0565
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0691 0.063
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0193 0.0061
Loa Loa (eye worm) hypothetical protein 0.0005 0.0193 0.0061
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0315 1
Mycobacterium ulcerans amidase 0.0012 0.0886 0.5
Onchocerca volvulus 0.0029 0.2635 1
Trichomonas vaginalis helicase, putative 0.0007 0.0315 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.2635 0.2536
Loa Loa (eye worm) hypothetical protein 0.0005 0.0193 0.0061
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0691 0.063
Onchocerca volvulus 0.001 0.0691 0.2229
Mycobacterium ulcerans amidase 0.0012 0.0886 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4413 0.4338
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0315 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4413 0.4376
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0691 0.0565
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0691 0.2229
Schistosoma mansoni amidase 0.01 1 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0381 0.0251
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0012 0.0886 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0012 0.0886 0.0762

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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