Detailed information for compound 411452

Basic information

Technical information
  • TDR Targets ID: 411452
  • Name: N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzamide
  • MW: 238.2 | Formula: C9H10N4O4
  • H donors: 3 H acceptors: 4 LogP: -0.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)CNC(=O)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C9H10N4O4/c10-12-8(14)5-11-9(15)6-3-1-2-4-7(6)13(16)17/h1-4H,5,10H2,(H,11,15)(H,12,14)
  • InChiKey: YYAYYDNPUWYKTB-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-hydrazino-2-oxo-ethyl)-2-nitro-benzamide
  • N-(2-hydrazino-2-oxoethyl)-2-nitrobenzamide
  • N-(2-hydrazinyl-2-oxo-ethyl)-2-nitro-benzamide
  • N-(2-hydrazino-2-keto-ethyl)-2-nitro-benzamide
  • ZINC00150351
  • BTB 02609

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli cystathionine beta-lyase, PLP-dependent Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum cysteine desulfhydrase, putative Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania mexicana cystathionine beta-lyase, putative Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania major cysteine desulfhydrase Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania braziliensis cystathionine beta-lyase, putative Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania donovani cystathionine beta-lyase, putative Get druggable targets OG5_136808 All targets in OG5_136808

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 ecdysone induced protein 78C 0.0057 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0057 0.035 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 0.035 0.0364
Brugia malayi Steroid receptor seven-up type 2 0.0057 0.035 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0057 0.035 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 0.035 0.0364
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.035 0.0364
Brugia malayi photoreceptor-specific nuclear receptor 0.0057 0.035 1
Brugia malayi nuclear receptor NHR-88 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.035 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0057 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Schistosoma mansoni nuclear hormone receptor 0.0057 0.035 0.035
Brugia malayi ecdysteroid receptor 0.0057 0.035 1
Schistosoma mansoni retinoic acid receptor RXR 0.0798 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.035 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0057 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 0.035 0.035
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.035 1
Loa Loa (eye worm) steroid hormone receptor 0.0057 0.035 1
Brugia malayi nuclear hormone receptor 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0057 0.035 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0057 0.035 0.0364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0057 0.035 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 0.035 0.0364
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.035 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0057 0.035 0.035
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 0.035 0.0364
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 0.035 0.0364
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0057 0.035 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0057 0.035 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.035 0.035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0057 0.035 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0057 0.035 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.035 0.0364
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0057 0.035 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Schistosoma mansoni RAR-like nuclear receptor 0.0057 0.035 0.035
Brugia malayi steroid hormone receptor 0.0057 0.035 1
Onchocerca volvulus Bile acid receptor homolog 0.0057 0.035 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0057 0.035 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor-like 1 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.035 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.035 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0057 0.035 1
Leishmania major cysteine desulfhydrase 0.0362 0.432 0.5
Onchocerca volvulus 0.0057 0.035 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0057 0.035 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0057 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0057 0.035 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0057 0.035 1
Schistosoma mansoni thyroid hormone receptor 0.0057 0.035 0.035
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.035 0.035
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 0.035 0.035
Schistosoma mansoni steroid hormone receptor ad4bp 0.0057 0.035 0.035
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0057 0.035 0.035
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0768 0.9608 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 0.035 0.035
Schistosoma mansoni thyroid hormone receptor 0.0057 0.035 0.035
Echinococcus granulosus FTZ F1 alpha 0.0057 0.035 0.035
Schistosoma mansoni coup transcription factor 0.0057 0.035 0.035
Echinococcus multilocularis FTZ F1 alpha 0.0057 0.035 0.0364

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.5 uM Inhibition of Escherichia coli CBL ChEMBL. 17300162
IC50 (binding) = 4.5 uM Inhibition of Escherichia coli CBL ChEMBL. 17300162
MIC (functional) = 16 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in presence of methionine ChEMBL. 17300162
MIC (functional) = 16 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in absence of methionine ChEMBL. 17300162
MIC (functional) = 16 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in presence of methionine ChEMBL. 17300162
MIC (functional) = 16 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in absence of methionine ChEMBL. 17300162
MIC (functional) = 128 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 ChEMBL. 17300162
MIC (functional) = 128 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 ChEMBL. 17300162

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

1 literature reference was collected for this gene.

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