Detailed information for compound 556767

Basic information

Technical information
  • TDR Targets ID: 556767
  • Name: (2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5- pentol; 4-hydroxy-3-iodo-5-nitro-benzonitrile
  • MW: 499.255 | Formula: C15H22IN3O8
  • H donors: 7 H acceptors: 9 LogP: -0.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O.CCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
  • InChi: 1S/C8H19NO5.C7H3IN2O3/c1-2-9-3-5(11)7(13)8(14)6(12)4-10;8-5-1-4(3-9)2-6(7(5)11)10(12)13/h5-14H,2-4H2,1H3;1-2,11H/t5-,6+,7+,8+;/m0./s1
  • InChiKey: NIVIZBHSVXAGNW-ANJNCBFHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol; 4-hydroxy-3-iodo-5-nitrobenzonitrile
  • (2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol; 4-hydroxy-3-iodo-5-nitro-benzenecarbonitrile
  • Trodax
  • (2R,3R,4R,5S)-6-ethylaminohexane-1,2,3,4,5-pentol; 4-hydroxy-3-iodo-5-nitrobenzonitrile
  • (2R,3R,4R,5S)-6-ethylaminohexane-1,2,3,4,5-pentol; 4-hydroxy-3-iodo-5-nitro-benzonitrile
  • 27917-82-4
  • 1-Deoxy-1-(ethylamino)-D-glucitol, compound with 4-hydroxy-3-iodo-5-nitrobenzonitrile (1:1)
  • EINECS 248-726-9

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
Plasmodium falciparum glutathione reductase 0.0011 0.0276 0.0186
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0519 0.0287
Loa Loa (eye worm) nuclear hormone receptor 0.0067 0.555 0.8071
Treponema pallidum NADH oxidase 0.0011 0.0276 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0014 0.0519 0.0762
Schistosoma mansoni RAR-like nuclear receptor 0.0014 0.0519 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0014 0.0519 0.0762
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0519 0.0287
Schistosoma mansoni hypothetical protein 0.0115 1 1
Leishmania major trypanothione reductase 0.0032 0.2239 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0011 0.0276 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0014 0.0519 0.0762
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0014 0.0519 0.0287
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0075 0.6229 0.6136
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0011 0.0276 0.0038
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0024 0.1521 0.1313
Plasmodium falciparum glutathione reductase 0.0032 0.2239 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0032 0.2239 0.2049
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0014 0.0519 0.0287
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0011 0.0276 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0011 0.0276 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Loa Loa (eye worm) hypothetical protein 0.0068 0.5623 0.8182
Schistosoma mansoni thyroid hormone receptor 0.0014 0.0519 0.0287
Loa Loa (eye worm) transcription factor SMAD2 0.0081 0.682 1
Mycobacterium tuberculosis Probable reductase 0.0073 0.6087 0.8844
Entamoeba histolytica hypothetical protein 0.0024 0.1521 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0014 0.0519 0.0762
Brugia malayi Nuclear hormone receptor-like 1 0.0014 0.0519 0.0762
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0014 0.0519 0.0287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0011 0.0276 0.0186
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Brugia malayi nuclear receptor NHR-88 0.0014 0.0519 0.0762
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0014 0.0519 0.0287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Echinococcus multilocularis geminin 0.0115 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0011 0.0276 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0014 0.0519 0.0762
Schistosoma mansoni hypothetical protein 0.0115 1 1
Plasmodium vivax glutathione reductase, putative 0.0032 0.2239 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0014 0.0519 0.0762
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0011 0.0276 0.0038
Echinococcus multilocularis ecdysone induced protein 78C 0.0014 0.0519 0.0287
Toxoplasma gondii thioredoxin reductase 0.0032 0.2239 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0014 0.0519 0.0426
Toxoplasma gondii NADPH-glutathione reductase 0.0011 0.0276 0.0186
Echinococcus granulosus FTZ F1 alpha 0.0014 0.0519 0.0287
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0014 0.0519 0.0287
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0075 0.6229 0.6136
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Schistosoma mansoni thyroid hormone receptor 0.0014 0.0519 0.0287
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0011 0.0276 0.0186
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0081 0.6852 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0011 0.0276 0.0186
Brugia malayi MH2 domain containing protein 0.0081 0.682 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0014 0.0519 0.0426
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0073 0.6087 0.8844
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.2239 1
Onchocerca volvulus Bile acid receptor homolog 0.0014 0.0519 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0014 0.0519 0.0287
Brugia malayi nuclear hormone receptor 0.0014 0.0519 0.0762
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0014 0.0519 0.0287
Onchocerca volvulus 0.0014 0.0519 0.5
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0011 0.0276 0.0186
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0014 0.0519 0.0426
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0014 0.0519 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0014 0.0519 0.0426
Trypanosoma cruzi trypanothione reductase, putative 0.0011 0.0276 0.0186
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0073 0.6087 0.8844
Loa Loa (eye worm) steroid hormone receptor 0.0014 0.0519 0.0426
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0011 0.0276 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0011 0.0276 0.0186
Plasmodium falciparum thioredoxin reductase 0.0032 0.2239 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0014 0.0519 0.0287
Echinococcus multilocularis thyroid hormone receptor alpha 0.0014 0.0519 0.0287
Plasmodium vivax thioredoxin reductase, putative 0.0032 0.2239 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0032 0.2239 0.2049
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0011 0.0276 0.0186
Mycobacterium tuberculosis Probable oxidoreductase 0.0081 0.6852 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0014 0.0519 0.0762
Entamoeba histolytica hypothetical protein 0.0024 0.1521 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0519 0.0287
Mycobacterium tuberculosis Probable dehydrogenase 0.0073 0.6087 0.8844
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0011 0.0276 0.0186
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0011 0.0276 0.0405
Brugia malayi glutathione reductase 0.0032 0.2239 0.3284
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0014 0.0519 0.0762
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0073 0.6087 0.8844
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0011 0.0276 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0014 0.0519 0.0426
Echinococcus granulosus ecdysone induced protein 78C 0.0014 0.0519 0.0287
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0024 0.1521 0.1313
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0011 0.0276 0.0056
Entamoeba histolytica hypothetical protein 0.0024 0.1521 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0014 0.0519 0.0762
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0014 0.0519 0.0762
Trichomonas vaginalis mercuric reductase, putative 0.0011 0.0276 0.5
Entamoeba histolytica hypothetical protein 0.0024 0.1521 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0014 0.0519 0.0287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0014 0.0519 0.0762
Brugia malayi steroid hormone receptor 0.0014 0.0519 0.0762
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0081 0.6852 1
Plasmodium falciparum thioredoxin reductase 0.0011 0.0276 0.0186
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0073 0.6087 0.8844
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0014 0.0519 0.0287
Schistosoma mansoni steroid hormone receptor ad4bp 0.0014 0.0519 0.0287
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0011 0.0276 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0011 0.0276 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0014 0.0519 0.0762
Loa Loa (eye worm) glutathione reductase 0.0032 0.2239 0.304
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0014 0.0519 0.0762
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0014 0.0519 0.0287
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0519 0.0287
Schistosoma mansoni coup transcription factor 0.0014 0.0519 0.0287
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0011 0.0276 0.0186
Brugia malayi hypothetical protein 0.0024 0.1521 0.223
Onchocerca volvulus Protein ultraspiracle homolog 0.0014 0.0519 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0011 0.0276 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0014 0.0519 0.0762
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0014 0.0519 0.0287
Brugia malayi isocitrate dehydrogenase 0.0011 0.0239 0.0351
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Brugia malayi Thioredoxin reductase 0.0032 0.2239 0.3284
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0011 0.0276 0.0186
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0014 0.0519 0.0287
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0519 0.0287
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0014 0.0519 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0024 0.1521 0.1313
Brugia malayi ecdysteroid receptor 0.0014 0.0519 0.0762
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0011 0.0276 0.0186
Brugia malayi Steroid receptor seven-up type 2 0.0075 0.6229 0.9134
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0011 0.0276 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0032 0.2239 0.3025
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0276 0.0186
Echinococcus multilocularis FTZ F1 alpha 0.0014 0.0519 0.0287
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0014 0.0519 0.0426
Schistosoma mansoni hypothetical protein 0.0024 0.1521 0.1313
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0014 0.0519 0.0426
Trypanosoma brucei trypanothione reductase 0.0032 0.2239 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0011 0.0276 0.0186
Loa Loa (eye worm) thioredoxin reductase 0.0032 0.2239 0.304
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0081 0.6852 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Loa Loa (eye worm) hypothetical protein 0.0014 0.0519 0.0426
Loa Loa (eye worm) MH2 domain-containing protein 0.0081 0.682 1
Brugia malayi Isocitrate dehydrogenase 0.0011 0.0239 0.0351
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0011 0.0276 0.0186

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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