Detailed information for compound 804882

Basic information

Technical information
  • TDR Targets ID: 804882
  • Name: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]ben zoic acid
  • MW: 355.345 | Formula: C18H17N3O5
  • H donors: 1 H acceptors: 5 LogP: 2.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1C(=O)O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C18H17N3O5/c22-17(15-3-1-2-4-16(15)18(23)24)20-11-9-19(10-12-20)13-5-7-14(8-6-13)21(25)26/h1-8H,9-12H2,(H,23,24)
  • InChiKey: XSDWMLFXVSWOAH-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzoic acid
  • 2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylbenzoic acid
  • Oprea1_004775

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 ornithine decarboxylase, putative 0.0122 0.2673 1
Schistosoma mansoni hypothetical protein 0.0385 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0052 0.0732 0.0566
Brugia malayi flavodoxin family protein 0.0052 0.0732 0.094
Trichomonas vaginalis ornithine decarboxylase, putative 0.0122 0.2673 1
Schistosoma mansoni lipoxygenase 0.012 0.2629 0.2629
Leishmania major ornithine decarboxylase, putative 0.0122 0.2673 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.012 0.2629 0.2497
Trypanosoma cruzi p450 reductase, putative 0.0052 0.0732 0.5
Entamoeba histolytica ornithine decarboxylase, putative 0.0122 0.2673 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0052 0.0732 0.1104
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0122 0.2673 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0026 0.0011 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0589 0.0446
Brugia malayi MH2 domain containing protein 0.0245 0.6092 1
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0122 0.2673 1
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0122 0.2673 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0052 0.0732 0.0784
Echinococcus multilocularis geminin 0.0385 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.012 0.2629 0.2497
Schistosoma mansoni hypothetical protein 0.0385 1 1
Brugia malayi Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein 0.0122 0.2673 0.422
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0052 0.0732 0.0566
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0046 0.0567 0.0347
Chlamydia trachomatis sulfite reductase 0.0032 0.0176 0.5
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.0122 0.2673 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0052 0.0732 0.0784
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0052 0.0732 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0032 0.0176 0.0176
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.0122 0.2673 1
Schistosoma mansoni cytochrome P450 reductase 0.0052 0.0732 0.0732
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0052 0.0732 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0052 0.0732 0.5
Toxoplasma gondii diaminopimelate decarboxylase 0.0122 0.2673 1
Brugia malayi FAD binding domain containing protein 0.0052 0.0732 0.094
Leishmania major p450 reductase, putative 0.0052 0.0732 0.0784
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.6092 1
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) 0.0047 0.0589 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0732 0.094
Trypanosoma brucei ornithine decarboxylase 0.0122 0.2673 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0052 0.0732 0.0566
Loa Loa (eye worm) MH2 domain-containing protein 0.0245 0.6092 1
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0122 0.2673 1
Schistosoma mansoni lipoxygenase 0.0084 0.1621 0.1621
Giardia lamblia Ornithine decarboxylase 0.0122 0.2673 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0052 0.0732 0.094
Loa Loa (eye worm) pyridoxal-dependent decarboxylase 0.0122 0.2673 0.422
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0052 0.0732 0.0566
Onchocerca volvulus 0.0122 0.2673 0.5
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.0122 0.2673 1

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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