Detailed information for compound 108057

Basic information

Technical information
  • TDR Targets ID: 108057
  • Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanal
  • MW: 139.155 | Formula: C6H9N3O
  • H donors: 2 H acceptors: 2 LogP: -1.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H](C=O)Cc1c[nH]cn1
  • InChi: 1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/t5-/m0/s1
  • InChiKey: VYOIELONWKIZJS-YFKPBYRVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanal
  • (2S)-2-amino-3-(1H-imidazol-5-yl)propionaldehyde
  • histidinal
  • (2S)-2-amino-3-(3H-imidazol-4-yl)propanal
  • (2S)-2-amino-3-(3H-imidazol-4-yl)propionaldehyde
  • 23784-15-8
  • C01929
  • 1H-Imidazole-4-propanal, alpha-amino-, (S)-
  • Histidinaldehyde
  • L-Histidinaldehyde

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli bifunctional histidinal dehydrogenase/histidinol dehydrogenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Phosphoribosyl-AMP cyclohydrolase Get druggable targets OG5_129099 All targets in OG5_129099
Mycobacterium ulcerans histidinol dehydrogenase Get druggable targets OG5_129099 All targets in OG5_129099
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) Get druggable targets OG5_129099 All targets in OG5_129099
Candida albicans Phosphoribosyl-AMP cyclohydrolase Get druggable targets OG5_129099 All targets in OG5_129099
Mycobacterium leprae Probable histidinol dehydrogenase HisD (HDH) Get druggable targets OG5_129099 All targets in OG5_129099
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
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) 0.0876 1 0.5
Onchocerca volvulus 0.0041 0.0045 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.0045 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.0045 0.5
Brugia malayi nuclear hormone receptor 0.0041 0.0045 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0045 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0041 0.0045 0.5
Echinococcus granulosus FTZ F1 alpha 0.0041 0.0045 1
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0045 0.0513
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.0045 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0041 0.0045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.0045 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.0045 0.5
Brugia malayi steroid hormone receptor 0.0041 0.0045 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.0045 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0041 0.0045 1
Schistosoma mansoni retinoic acid receptor RXR 0.0041 0.0045 0.0513
Brugia malayi ecdysteroid receptor 0.0041 0.0045 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.0045 0.0513
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0045 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.0045 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0045 0.0513
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.0045 0.0513
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.0045 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.0045 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0037 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.0045 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.0045 0.0513
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.0045 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.0045 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0037 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.0045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.0045 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.0045 0.0513
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0045 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0037 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.0045 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.0045 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0037 0 0.5
Trypanosoma brucei RNA helicase, putative 0.011 0.0874 1
Brugia malayi nuclear receptor NHR-88 0.0041 0.0045 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0037 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.0045 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.0045 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0045 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.0045 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.0045 0.0513
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.0045 0.5
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0045 0.0513
Entamoeba histolytica hypothetical protein, conserved 0.0037 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.0045 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.0045 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0045 1
Schistosoma mansoni hypothetical protein 0.011 0.0874 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0041 0.0045 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.0045 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.0045 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0037 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.0045 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0037 0 0.5
Mycobacterium ulcerans histidinol dehydrogenase 0.0876 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.0045 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.0045 1
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.0045 0.0513
Giardia lamblia Rrm3p helicase 0.0037 0 0.5
Schistosoma mansoni coup transcription factor 0.0041 0.0045 0.0513
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0045 0.5
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0045 0.0513
Echinococcus multilocularis thyroid hormone receptor alpha 0.0041 0.0045 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0045 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.0045 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.0045 0.0513
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0045 0.5

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 0.000000000014 M Compound was tested for inhibitory activity against histidinol dehydrogenase. Starlite. No reference
Kd (binding) = 1.4 nM Binding affinity to Escherichia coli histidinol dehydrogenase ChEMBL. No reference

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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