Detailed information for compound 573709

Basic information

Technical information
  • TDR Targets ID: 573709
  • Name: N-allyl-N-(4-hydroxybutyl)nitrous amide
  • MW: 158.198 | Formula: C7H14N2O2
  • H donors: 1 H acceptors: 2 LogP: 0.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCCN(CC=C)N=O
  • InChi: 1S/C7H14N2O2/c1-2-5-9(8-11)6-3-4-7-10/h2,10H,1,3-7H2
  • InChiKey: DGLIVTKBJCECAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-hydroxybutyl)-N-prop-2-enyl-nitrous amide
  • N-(4-hydroxybutyl)-N-prop-2-enylnitrous amide
  • 4-hydroxybutyl-(2-propenyl)nitrosamine
  • 61424-17-7
  • 1-BUTANOL, 4-(ALLYLNITROSAMINO)-
  • 1-Butanol, 4-(nitroso-2-propenylamino)-
  • 4-(Allylnitrosamino)-1-butanol
  • 4-Hydroxybutyl(2-propenyl)nitrosamine
  • BRN 2716345

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
Toxoplasma gondii thioredoxin reductase 0.0099 0.254 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0882 0.114
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0225 0.6906 0.8837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0882 0.114
Plasmodium vivax thioredoxin reductase, putative 0.0099 0.254 1
Trypanosoma cruzi trypanothione reductase, putative 0.0099 0.254 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0313 0.5
Leishmania major trypanothione reductase 0.0099 0.254 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0225 0.6906 0.8837
Plasmodium falciparum glutathione reductase 0.0099 0.254 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0249 0.7736 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0099 0.254 0.2985
Trichomonas vaginalis mercuric reductase, putative 0.0034 0.0313 0.5
Plasmodium vivax glutathione reductase, putative 0.0099 0.254 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0328 0.0424
Brugia malayi MH2 domain containing protein 0.0249 0.7736 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0225 0.6906 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.025 0.7773 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0034 0.0313 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0099 0.254 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.025 0.7773 1
Loa Loa (eye worm) thioredoxin reductase 0.0099 0.254 0.2986
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0034 0.0313 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0225 0.6906 0.8837
Trichomonas vaginalis glutathione reductase, putative 0.0034 0.0313 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0034 0.0313 0.5
Plasmodium falciparum thioredoxin reductase 0.0099 0.254 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0313 0.0405
Mycobacterium tuberculosis Probable reductase 0.0225 0.6906 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.025 0.7773 1
Loa Loa (eye worm) glutathione reductase 0.0099 0.254 0.2986
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0034 0.0313 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.025 0.7773 1
Brugia malayi glutathione reductase 0.0099 0.254 0.3284
Brugia malayi Thioredoxin reductase 0.0099 0.254 0.3284
Trypanosoma brucei trypanothione reductase 0.0099 0.254 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0882 0.0747
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0034 0.0313 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0099 0.254 1
Treponema pallidum NADH oxidase 0.0034 0.0313 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0249 0.7736 1
Schistosoma mansoni hypothetical protein 0.0035 0.0328 0.0015
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0225 0.6906 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0313 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0882 0.0747

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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