Detailed information for compound 820050

Basic information

Technical information
  • TDR Targets ID: 820050
  • Name: 4-(4-nitrobenzoyl)-1,3-dihydroquinoxalin-2-on e
  • MW: 297.266 | Formula: C15H11N3O4
  • H donors: 1 H acceptors: 4 LogP: 1.75 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2ccccc2N(C1)C(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C15H11N3O4/c19-14-9-17(13-4-2-1-3-12(13)16-14)15(20)10-5-7-11(8-6-10)18(21)22/h1-8H,9H2,(H,16,19)
  • InChiKey: CDKXCBOWQZABGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-nitrophenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one
  • 4-(4-nitrophenyl)carbonyl-1,3-dihydroquinoxalin-2-one
  • Oprea1_850989
  • BIM-0011210.P001
  • CBMicro_011213
  • ZINC01514408

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
Loa Loa (eye worm) hypothetical protein 0.0054 0.025 0.0617
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0261 0.3148 1
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.025 0.0192
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0261 0.3148 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.1361 0.4216
Brugia malayi hypothetical protein 0.0257 0.3096 0.9831
Brugia malayi hypothetical protein 0.0177 0.1981 0.6238
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0261 0.3148 0.3118
Brugia malayi TAR-binding protein 0.0069 0.0461 0.1341
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0261 0.3148 0.5
Echinococcus granulosus tar DNA binding protein 0.0069 0.0461 0.0418
Brugia malayi MH2 domain containing protein 0.013 0.1314 0.4089
Toxoplasma gondii isocitrate dehydrogenase 0.0261 0.3148 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.1981 0.6221
Schistosoma mansoni microtubule-associated protein tau 0.0749 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0231 0.06
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0059 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.3096 0.3065
Brugia malayi Inositol-1 0.004 0.0059 0.0046
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.3096 0.3065
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0261 0.3148 1
Echinococcus multilocularis microtubule associated protein 2 0.0749 1 1
Brugia malayi Isocitrate dehydrogenase 0.0261 0.3148 1
Echinococcus granulosus tumor protein p63 0.0367 0.464 0.4616
Onchocerca volvulus 0.0054 0.025 0.1555
Onchocerca volvulus 0.0052 0.0231 0.1414
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0261 0.3148 0.3118
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0261 0.3148 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.1314 0.4062
Loa Loa (eye worm) RNA binding protein 0.0069 0.0461 0.1301
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0261 0.3148 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0053 0.0237 0.0179
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.1314 0.4062
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0461 0.0418
Loa Loa (eye worm) hypothetical protein 0.0257 0.3096 0.983
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0059 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0461 0.1301
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0461 0.0404
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0261 0.3148 0.3118
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0461 0.0404
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0461 0.0404
Schistosoma mansoni hypothetical protein 0.0052 0.0231 0.0173
Brugia malayi isocitrate dehydrogenase 0.0261 0.3148 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0261 0.3148 0.3108
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0461 0.0404
Brugia malayi hypothetical protein 0.0133 0.1361 0.4242
Schistosoma mansoni survival motor neuron protein 0.0052 0.0231 0.0173
Brugia malayi RNA binding protein 0.0069 0.0461 0.1341
Brugia malayi hypoxia-induced factor 1 0.0164 0.1788 0.5618
Loa Loa (eye worm) isocitrate dehydrogenase 0.0261 0.3148 1
Toxoplasma gondii isocitrate dehydrogenase 0.0261 0.3148 1
Brugia malayi PAS domain containing protein 0.0053 0.0237 0.062
Echinococcus multilocularis tumor protein p63 0.0367 0.464 0.4616
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0261 0.3148 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.0164 0.1788 0.5598
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0261 0.3148 0.3118
Onchocerca volvulus Huntingtin homolog 0.0133 0.1361 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0059 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0059 1
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0461 0.1341
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0059 0.0014
Schistosoma mansoni single-minded 0.0053 0.0237 0.0179
Loa Loa (eye worm) hypothetical protein 0.0133 0.1361 0.4216
Onchocerca volvulus Huntingtin homolog 0.0133 0.1361 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0261 0.3148 0.3118
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0059 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0059 0.5
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0059 0.0014
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0461 0.1301
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0261 0.3148 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0261 0.3148 0.3118
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0461 0.0404

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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