Detailed information for compound 726922

Basic information

Technical information
  • TDR Targets ID: 726922
  • Name: 4-(1,3-diketoisoindolin-2-yl)-N-(4-methyl-2-n itro-phenyl)butyramide
  • MW: 367.355 | Formula: C19H17N3O5
  • H donors: 1 H acceptors: 5 LogP: 2.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1[N+](=O)[O-])C)CCCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C19H17N3O5/c1-12-8-9-15(16(11-12)22(26)27)20-17(23)7-4-10-21-18(24)13-5-2-3-6-14(13)19(21)25/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)
  • InChiKey: ZOHKFPGYJVMAQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-nitrophenyl)butanamide
  • 4-(1,3-dioxoisoindolin-2-yl)-N-(4-methyl-2-nitro-phenyl)butanamide
  • 4-(1,3-dioxo-2-isoindolinyl)-N-(4-methyl-2-nitrophenyl)butanamide
  • 4-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-nitro-phenyl)butanamide
  • CBKinase1_024140
  • CBKinase1_011740
  • Oprea1_202684
  • STOCK1S-56219
  • ZINC04828580

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
Schistosoma mansoni tar DNA-binding protein 0.021 0.6991 1
Schistosoma mansoni hypothetical protein 0.0116 0.2879 0.4118
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.0285 0.0139
Brugia malayi TAR-binding protein 0.021 0.6991 0.6945
Toxoplasma gondii LsmAD domain-containing protein 0.0112 0.271 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.8456 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.017 0.5232 0.516
Schistosoma mansoni hypothetical protein 0.0054 0.0149 0.0213
Brugia malayi RNA binding protein 0.021 0.6991 0.6945
Brugia malayi MH2 domain containing protein 0.014 0.391 0.3818
Leishmania major hypothetical protein, conserved 0.0112 0.271 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.0149 0.0213
Loa Loa (eye worm) pigment dispersing factor receptor c 0.017 0.5232 0.516
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0149 0.0149
Schistosoma mansoni survival motor neuron protein 0.0057 0.0285 0.0408
Schistosoma mansoni tar DNA-binding protein 0.021 0.6991 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0149 0.0149
Brugia malayi RNA recognition motif domain containing protein 0.021 0.6991 0.6945
Echinococcus multilocularis GPCR, family 2 0.0054 0.0149 0.0149
Trypanosoma cruzi PAB1-binding protein , putative 0.0112 0.271 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.0149 0.0213
Loa Loa (eye worm) hypothetical protein 0.017 0.5232 0.516
Echinococcus granulosus tar DNA binding protein 0.021 0.6991 0.6991
Loa Loa (eye worm) hypothetical protein 0.0279 1 1
Loa Loa (eye worm) RNA binding protein 0.021 0.6991 0.6945
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.391 0.3818
Echinococcus granulosus survival motor neuron protein 1 0.0279 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0116 0.2879 0.2772
Loa Loa (eye worm) hypothetical protein 0.0112 0.271 0.26
Plasmodium falciparum ataxin-2 like protein, putative 0.0112 0.271 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.021 0.6991 0.6945
Schistosoma mansoni hypothetical protein 0.0054 0.0149 0.0213
Onchocerca volvulus 0.0057 0.0285 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0149 0.0149
Brugia malayi hypothetical protein 0.0112 0.271 0.26
Trypanosoma cruzi PAB1-binding protein , putative 0.0112 0.271 0.5
Echinococcus granulosus GPCR family 2 0.0054 0.0149 0.0149
Trypanosoma brucei PAB1-binding protein , putative 0.0112 0.271 0.5
Loa Loa (eye worm) TAR-binding protein 0.021 0.6991 0.6945
Loa Loa (eye worm) hypothetical protein 0.0116 0.2879 0.2772
Schistosoma mansoni tar DNA-binding protein 0.021 0.6991 1
Schistosoma mansoni hypothetical protein 0.0057 0.0285 0.0408
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.017 0.5232 0.516
Schistosoma mansoni tar DNA-binding protein 0.021 0.6991 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0149 0.0149
Schistosoma mansoni tar DNA-binding protein 0.021 0.6991 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0112 0.271 0.5
Echinococcus multilocularis tar DNA binding protein 0.021 0.6991 0.6991
Echinococcus multilocularis survival motor neuron protein 1 0.0279 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.391 0.3818
Plasmodium vivax ataxin-2 like protein, putative 0.0112 0.271 0.5
Brugia malayi hypothetical protein 0.0072 0.0968 0.0832

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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