Detailed information for compound 1162966

Basic information

Technical information
  • TDR Targets ID: 1162966
  • Name: Hexyl 5-amino-4-oxopentanoate hydrochloride
  • MW: 251.75 | Formula: C11H22ClNO3
  • H donors: 1 H acceptors: 2 LogP: 1.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCOC(=O)CCC(=O)CN.Cl
  • InChi: 1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H
  • InChiKey: LZYXPFZBAZTOCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • hexyl 5-amino-4-oxo-pentanoate hydrochloride
  • 5-amino-4-oxopentanoic acid hexyl ester hydrochloride
  • 5-amino-4-keto-valeric acid hexyl ester hydrochloride
  • 140898-91-5
  • Hexaminolevulinate Hydrochloride
  • Hexaminolevulinate Hydrochloride [USAN]
  • P-1026
  • Pentanoic acid, 5-amino-4-oxo-, hexyl ester, hydrochloride
  • D04436
  • Hexaminolevulinate hydrochloride (USAN)

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 retinoid-x-receptor (RXR) 0.0011 0.1572 0.1572
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.8371 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.1572 0.1572
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.8371 0.8371
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.1572 0.1572
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.4892 0.5844
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.3742 0.3742
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.1572 0.1572
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.1572 0.1572
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.1572 0.1572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.1572 0.1572
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.1572 0.1572
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.5375 0.6421
Schistosoma mansoni nuclear hormone receptor 0.0011 0.1572 0.1572
Echinococcus multilocularis lamin dm0 0.003 1 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.1572 0.1572
Brugia malayi AMP-binding enzyme family protein 0.0026 0.8371 0.8371
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.002 0.5375 0.5375
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.1572 0.1572
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.1572 0.1572
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.1572 0.1572
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.002 0.5375 0.5375
Echinococcus multilocularis musashi 0.003 1 1
Echinococcus granulosus lamin dm0 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.5375 0.5375
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.1572 0.1572
Schistosoma mansoni intermediate filament proteins 0.003 1 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0026 0.8371 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.8371 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.2779 0.2779
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.1572 0.1572
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.8371 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.8371 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.1572 0.1572
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.5375 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.4892 0.5844
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.1572 0.1572
Schistosoma mansoni lamin 0.003 1 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.5375 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.1572 0.1572
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.1572 0.1572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.1572 0.1572
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.8371 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.8371 1
Schistosoma mansoni lamin 0.003 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.4892 0.5844
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.1572 0.1572
Plasmodium falciparum acyl-CoA synthetase 0.002 0.5375 1
Loa Loa (eye worm) intermediate filament protein 0.003 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.3026 0.3026
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.002 0.5375 0.5375
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.1572 0.1572
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.1572 0.1572
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.1572 0.1572
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.8371 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.8371 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.1572 0.1572
Onchocerca volvulus 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.8371 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.1572 0.1572
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.8371 1
Schistosoma mansoni coup transcription factor 0.0011 0.1572 0.1572
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.8371 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.1572 0.1572
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.1572 0.1572
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0014 0.2779 0.2779
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.1572 0.1572
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.1572 0.1572
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.1572 0.1572
Brugia malayi AMP-binding enzyme family protein 0.0026 0.8371 0.8371
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.1572 0.1572
Onchocerca volvulus 0.0026 0.8371 0.8371
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0029 0.9753 0.9753
Loa Loa (eye worm) hypothetical protein 0.0026 0.8371 0.8371
Onchocerca volvulus 0.0011 0.1572 0.1572
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.1572 0.1572
Echinococcus granulosus intermediate filament protein 0.003 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.1572 0.1572
Brugia malayi nuclear hormone receptor 0.0011 0.1572 0.1572
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.1572 0.1572
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.3742 0.3742
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0026 0.8371 0.8371
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.8371 1
Echinococcus granulosus lamin 0.003 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.8371 1
Onchocerca volvulus 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.5375 0.5375
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.1572 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.1572 0.1572
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.8371 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.1572 0.1572
Schistosoma mansoni thyroid hormone receptor 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0014 0.3026 0.3026
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.1572 0.1572
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.3026 0.3026
Loa Loa (eye worm) hypothetical protein 0.0011 0.1572 0.1572
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.1572 0.1572
Brugia malayi steroid hormone receptor 0.0011 0.1572 0.1572
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.1572 0.1572
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.1572 0.1572
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.8371 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.1572 0.1572
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.1572 0.1572
Brugia malayi AMP-binding enzyme family protein 0.0026 0.8371 0.8371
Echinococcus multilocularis lamin 0.003 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.8371 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.8371 1
Brugia malayi ecdysteroid receptor 0.0011 0.1572 0.1572
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.1572 0.1572
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 1 1
Toxoplasma gondii propionate-CoA ligase 0.0008 0 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.5375 0.6421
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.4892 0.5844
Brugia malayi Intermediate filament tail domain containing protein 0.003 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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