Detailed information for compound 1104676

Basic information

Technical information
  • TDR Targets ID: 1104676
  • Name: 2-[(2,4-dinitrophenyl)amino]-3-hydroxybutanoi c acid
  • MW: 285.21 | Formula: C10H11N3O7
  • H donors: 3 H acceptors: 7 LogP: 1.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])O
  • InChi: 1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16)
  • InChiKey: PWOCOTZWYFGDMO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2,4-dinitrophenyl)amino]-3-hydroxy-butanoic acid
  • 2-[(2,4-dinitrophenyl)amino]-3-hydroxy-butyric acid
  • 16068-25-0
  • 5788-68-1
  • 1655-65-8
  • 2-(2,4-Dinitroanilino)-3-hydroxybutanoic acid
  • NCIOpen2_007241
  • L-Threonine, N-(2,4-dinitrophenyl)-
  • NSC89613
  • N-2,4-Dinitrophenyl-l-threonine
  • NSC96398
  • N-(2,4-Dinitrophenyl)-dl-threonine
  • ST5410709

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) pyruvate kinase 0.0034 0.024 0.0245
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0845 0.0845
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0845 0.1645
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.024 0.0245
Loa Loa (eye worm) blistered cuticle protein 3 0.0667 0.9802 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.05 0.0651
Loa Loa (eye worm) inositol-1 0.0074 0.0845 0.0862
Leishmania major mitochondrial DNA polymerase beta 0.0298 0.4224 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1857 0.4057
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Schistosoma mansoni pyruvate kinase 0.0034 0.024 0.024
Brugia malayi Animal haem peroxidase family protein 0.0667 0.9802 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0362 0.0304
Schistosoma mansoni peroxidasin 0.0667 0.9802 0.9802
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0362 0.0304
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Brugia malayi hypothetical protein 0.0667 0.9802 1
Loa Loa (eye worm) animal heme peroxidase 0.0667 0.9802 1
Schistosoma mansoni inositol monophosphatase 0.0074 0.0845 0.0845
Loa Loa (eye worm) glutaminase 0.0277 0.3915 0.3994
Mycobacterium ulcerans hypothetical protein 0.0157 0.2097 0.5053
Loa Loa (eye worm) pyruvate kinase 0.0034 0.024 0.0245
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0298 0.4224 1
Loa Loa (eye worm) animal heme peroxidase 0.0667 0.9802 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.024 0.0245
Loa Loa (eye worm) hypothetical protein 0.0034 0.024 0.0245
Brugia malayi Animal haem peroxidase family protein 0.0667 0.9802 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.4224 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.024 0.0245
Plasmodium vivax pyruvate kinase, putative 0.0034 0.024 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0845 0.1517
Onchocerca volvulus Peroxidase homolog 0.0667 0.9802 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0066 0.0728 1
Echinococcus multilocularis microtubule associated protein 2 0.068 1 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Onchocerca volvulus Peroxidasin homolog 0.0667 0.9802 1
Brugia malayi Animal haem peroxidase family protein 0.0667 0.9802 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0845 0.1517
Giardia lamblia Pyruvate kinase 0.0034 0.024 0.5
Trichomonas vaginalis glutaminase, putative 0.0277 0.3915 1
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0845 0.0845
Loa Loa (eye worm) animal heme peroxidase 0.0667 0.9802 1
Onchocerca volvulus 0.0667 0.9802 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0362 0.0304
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.0845 0.1645
Toxoplasma gondii hypothetical protein 0.0048 0.0455 0.3544
Echinococcus multilocularis pyruvate kinase 0.0027 0.0133 0.0133
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1857 0.4057
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0362 0.0304
Schistosoma mansoni glutaminase 0.0277 0.3915 0.3915
Loa Loa (eye worm) animal heme peroxidase 0.0667 0.9802 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0845 0.1645
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0728 0.2626
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.024 0.0245
Echinococcus multilocularis pyruvate kinase 0.0034 0.024 0.024
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.1857 0.4057
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Schistosoma mansoni microtubule-associated protein tau 0.068 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.2097 1
Onchocerca volvulus Peroxidasin homolog 0.0667 0.9802 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.024 0.024
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0845 0.1517
Loa Loa (eye worm) pyruvate kinase 0.0034 0.024 0.0245
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.0845 1
Echinococcus granulosus peroxidasin 0.0667 0.9802 0.9802
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.0845 1
Onchocerca volvulus 0.0667 0.9802 1
Brugia malayi Peroxidasin 0.0667 0.9802 1
Schistosoma mansoni inositol monophosphatase 0.0074 0.0845 0.0845
Echinococcus granulosus pyruvate kinase 0.0034 0.024 0.024
Onchocerca volvulus Dual oxidase homolog 0.0667 0.9802 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0845 0.1645
Loa Loa (eye worm) hypothetical protein 0.0024 0.0086 0.0088
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0086 0.0088
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.024 0.0245
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.0845 0.5
Chlamydia trachomatis pyruvate kinase 0.0034 0.024 0.5
Brugia malayi Blistered cuticle protein 3 0.0667 0.9802 1
Schistosoma mansoni peroxidasin 0.0667 0.9802 0.9802
Schistosoma mansoni pyruvate kinase 0.0034 0.024 0.024
Brugia malayi Inositol-1 0.0074 0.0845 0.0862
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.4224 1
Echinococcus granulosus pyruvate kinase 0.0034 0.024 0.024
Echinococcus multilocularis peroxidasin 0.0667 0.9802 0.9802
Loa Loa (eye worm) glutaminase 2 0.0277 0.3915 0.3994
Onchocerca volvulus 0.0667 0.9802 1
Plasmodium falciparum pyruvate kinase 0.0034 0.024 0.5
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Brugia malayi glutaminase DH11.1 0.0277 0.3915 0.3994
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0845 0.1517
Mycobacterium ulcerans glutaminase 0.0277 0.3915 1
Onchocerca volvulus Peroxidase homolog 0.0667 0.9802 1
Onchocerca volvulus Chorion peroxidase homolog 0.0667 0.9802 1
Brugia malayi Animal haem peroxidase family protein 0.0667 0.9802 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.9802 1
Brugia malayi Animal haem peroxidase family protein 0.0667 0.9802 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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