Detailed information for compound 722769

Basic information

Technical information
  • TDR Targets ID: 722769
  • Name: 2-nitro-5-piperazin-1-yl-N-propan-2-ylaniline
  • MW: 264.324 | Formula: C13H20N4O2
  • H donors: 2 H acceptors: 2 LogP: 2.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Nc1cc(ccc1[N+](=O)[O-])N1CCNCC1)C
  • InChi: 1S/C13H20N4O2/c1-10(2)15-12-9-11(3-4-13(12)17(18)19)16-7-5-14-6-8-16/h3-4,9-10,14-15H,5-8H2,1-2H3
  • InChiKey: RWQXJALRNBCRMX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-isopropyl-2-nitro-5-piperazin-1-yl-aniline
  • N-isopropyl-2-nitro-5-(1-piperazinyl)aniline
  • isopropyl-(2-nitro-5-piperazin-1-yl-phenyl)amine
  • 2-nitro-5-piperazin-1-yl-N-propan-2-yl-aniline
  • STK206032

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 cathepsin B-like peptidase (C01 family) 0.0044 0.2523 0.2523
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.9115 0.9115
Giardia lamblia Cathepsin B precursor 0.0044 0.2523 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.9115 0.9115
Echinococcus multilocularis carbonic anhydrase 0.0054 0.3258 0.3258
Onchocerca volvulus 0.001 0 0.5
Echinococcus multilocularis cathepsin b 0.0134 0.9115 0.9115
Echinococcus granulosus carbonic anhydrase 0.0054 0.3258 0.3258
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Schistosoma mansoni carbonic anhydrase 0.0054 0.3258 0.3258
Echinococcus granulosus cathepsin b 0.0134 0.9115 0.9115
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.3258 0.3258
Giardia lamblia Cathepsin B precursor 0.0044 0.2523 0.5
Trypanosoma brucei carbonic anhydrase-like protein 0.0146 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0146 1 1
Plasmodium falciparum carbonic anhydrase 0.0054 0.3258 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.3258 0.3258
Giardia lamblia Cathepsin B precursor 0.0044 0.2523 0.5
Echinococcus multilocularis carbonic anhydrase 0.0054 0.3258 0.3258
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0146 1 1
Echinococcus granulosus carbonic anhydrase 0.0054 0.3258 0.3258
Echinococcus granulosus cathepsin b 0.0134 0.9115 0.9115
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.3258 0.3258
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.3258 0.3258
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.3258 0.3258
Echinococcus multilocularis carbonic anhydrase 0.0054 0.3258 0.3258
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0146 1 1
Echinococcus multilocularis cathepsin b 0.0134 0.9115 0.9115
Echinococcus multilocularis carbonic anhydrase II 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.3258 0.3258
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.9115 0.9115
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0146 1 1
Echinococcus granulosus carbonic anhydrase 0.0054 0.3258 0.3258
Loa Loa (eye worm) hypothetical protein 0.0054 0.3258 0.3258
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.3258 0.3258
Brugia malayi cathepsin B-like cysteine proteinase 0.0134 0.9115 0.9115
Loa Loa (eye worm) hypothetical protein 0.0134 0.9115 0.9115
Loa Loa (eye worm) hypothetical protein 0.0054 0.3258 0.3258
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.2523 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0146 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0134 0.9115 0.8817
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0134 0.9115 0.9115
Schistosoma mansoni hypothetical protein 0.0054 0.3258 0.3258
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Toxoplasma gondii hypothetical protein 0.0054 0.3258 1
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.3258 0.3258
Loa Loa (eye worm) cathepsin B 0.0044 0.2523 0.2523
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.3258 0.3258
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.3258 0.3258
Echinococcus granulosus carbonic anhydrase II 0.0146 1 1
Leishmania major carbonic anhydrase-like protein 0.0146 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0146 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0146 1 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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