Detailed information for compound 1388231

Basic information

Technical information
  • TDR Targets ID: 1388231
  • Name: N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-ni trobenzamide
  • MW: 288.302 | Formula: C14H16N4O3
  • H donors: 1 H acceptors: 4 LogP: 1.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1nc(c(c1)CNC(=O)c1cccc(c1)[N+](=O)[O-])C
  • InChi: 1S/C14H16N4O3/c1-3-17-9-12(10(2)16-17)8-15-14(19)11-5-4-6-13(7-11)18(20)21/h4-7,9H,3,8H2,1-2H3,(H,15,19)
  • InChiKey: QQYLNDYGEFTTSJ-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-nitro-benzamide
  • N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-nitrobenzamide
  • AK-968/41026592
  • ZINC00372997
  • MLS000578615
  • N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
  • SMR000197800
  • IVK/9242208

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415

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
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0085 0.0332 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.3097 0.5621
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.3097 0.5621
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0085 0.0332 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0161 0.3097 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0161 0.3097 0.5621
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.3097 1
Brugia malayi nuclear receptor RXR 0.0085 0.0332 0.1071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0161 0.3097 0.3097
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.3097 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0332 0.1071
Echinococcus multilocularis FTZ F1 alpha 0.0161 0.3097 0.5621
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0161 0.3097 0.3097
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0161 0.3097 0.3097
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.3097 0.5621
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.551 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0161 0.3097 0.5621
Brugia malayi hypothetical protein 0.0085 0.0332 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.3097 0.5621
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Schistosoma mansoni thyroid hormone receptor 0.0161 0.3097 0.3097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0161 0.3097 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0085 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0161 0.3097 1
Brugia malayi Nuclear hormone receptor-like 1 0.0085 0.0332 0.1071
Brugia malayi ecdysteroid receptor 0.0161 0.3097 1
Echinococcus granulosus FTZ F1 alpha 0.0161 0.3097 0.5621
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0161 0.3097 1
Brugia malayi nuclear hormone receptor 0.0161 0.3097 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0161 0.3097 0.5621
Schistosoma mansoni steroid hormone receptor ad4bp 0.0161 0.3097 0.3097
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0161 0.3097 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0161 0.3097 1
Schistosoma mansoni RAR-like nuclear receptor 0.0161 0.3097 0.3097
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.551 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0161 0.3097 1
Brugia malayi Nuclear hormone receptor-like 1 0.0085 0.0332 0.1071
Loa Loa (eye worm) hypothetical protein 0.0085 0.0332 0.1071
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0161 0.3097 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0161 0.3097 0.5621
Schistosoma mansoni nuclear hormone receptor 0.0161 0.3097 0.3097
Brugia malayi hypothetical protein 0.0085 0.0332 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0161 0.3097 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.3097 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0332 0.1071
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0161 0.3097 0.3097
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0085 0.0332 0.0602
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0161 0.3097 0.5621
Echinococcus multilocularis thyroid hormone receptor alpha 0.0161 0.3097 0.5621
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0161 0.3097 1
Brugia malayi Steroid receptor seven-up type 2 0.0161 0.3097 1
Brugia malayi nuclear receptor NHR-88 0.0161 0.3097 1
Schistosoma mansoni retinoic acid receptor RXR 0.0161 0.3097 0.3097
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0161 0.3097 0.5621
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0161 0.3097 0.5621
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0161 0.3097 1
Onchocerca volvulus 0.0161 0.3097 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0161 0.3097 1
Onchocerca volvulus Bile acid receptor homolog 0.0161 0.3097 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0161 0.3097 0.3097
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.3097 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0161 0.3097 1
Loa Loa (eye worm) steroid hormone receptor 0.0161 0.3097 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.3097 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0161 0.3097 0.5621
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.3097 1
Brugia malayi steroid hormone receptor 0.0161 0.3097 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0161 0.3097 0.3097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0161 0.3097 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0332 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0161 0.3097 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0161 0.3097 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0161 0.3097 0.5621
Loa Loa (eye worm) hypothetical protein 0.0085 0.0332 0.1071
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0085 0.0332 0.0602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0161 0.3097 1
Schistosoma mansoni thyroid hormone receptor 0.0161 0.3097 0.3097
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0161 0.3097 0.5621
Schistosoma mansoni coup transcription factor 0.0161 0.3097 0.3097
Loa Loa (eye worm) hypothetical protein 0.0161 0.3097 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0161 0.3097 1
Echinococcus granulosus ecdysone induced protein 78C 0.0161 0.3097 0.5621

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0461 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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