Detailed information for compound 587324

Basic information

Technical information
  • TDR Targets ID: 587324
  • Name: N-allyl-N-(2,3-dihydroxypropyl)nitrous amide
  • MW: 160.171 | Formula: C6H12N2O3
  • H donors: 2 H acceptors: 3 LogP: -0.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CO)CN(N=O)CC=C
  • InChi: 1S/C6H12N2O3/c1-2-3-8(7-11)4-6(10)5-9/h2,6,9-10H,1,3-5H2
  • InChiKey: DMCULBAURODNDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dihydroxypropyl)-N-prop-2-enyl-nitrous amide
  • N-allyl-N-glyceryl-nitrous amide
  • N-(2,3-dihydroxypropyl)-N-prop-2-enylnitrous amide
  • N-nitrosoallyl-2,3-dihydroxypropylamine
  • 88208-16-6
  • 3-[nitroso(prop-2-en-1-yl)amino]propane-1,2-diol
  • 1,2-Propanediol, 3-(allylnitrosamino)-
  • 1,2-Propanediol, 3-(nitroso-2-propenylamino)-
  • 3-(Allylnitrosamino)-1,2-propanediol
  • N-Nitroso-2,3-dihydroxypropylallylamine

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) oxidoreductase 0.0031 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 1 1
Onchocerca volvulus 0.0009 0.072 0.072
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0009 0.072 0.072
Echinococcus multilocularis aldo keto reductase 0.0031 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0009 0.072 0.072
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0009 0.072 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0009 0.072 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0031 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Trypanosoma cruzi aldo-keto reductase 0.0031 1 1
Plasmodium vivax aldehyde reductase, putative 0.0009 0.072 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 1 1
Echinococcus granulosus aldehyde reductase 0.0022 0.6216 0.6216
Echinococcus multilocularis aldo keto reductase 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Onchocerca volvulus 0.0031 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0009 0.072 0.072
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 1 1
Leishmania major aldo-keto reductase-like protein 0.0031 1 1
Echinococcus granulosus aldo keto reductase 0.0031 1 1
Onchocerca volvulus 0.0031 1 1
Schistosoma mansoni potassium channel beta 0.0009 0.072 0.072
Plasmodium falciparum aldehyde reductase, putative 0.0009 0.072 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 1 1
Schistosoma mansoni aldo-keto reductase 0.0031 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Toxoplasma gondii aldose reductase, putative 0.0031 1 1
Entamoeba histolytica aldose reductase, putative 0.0031 1 1
Entamoeba histolytica aldose reductase, putative 0.0031 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Giardia lamblia Aldose reductase 0.0031 1 0.5
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0031 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 1 1
Echinococcus granulosus aldo keto reductase 0.0031 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Giardia lamblia Aldose reductase 0.0031 1 0.5
Mycobacterium ulcerans oxidoreductase 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Onchocerca volvulus 0.0031 1 1
Entamoeba histolytica aldose reductase, putative 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0009 0.072 0.072
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Onchocerca volvulus 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Schistosoma mansoni aldo-keto reductase 0.0031 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Onchocerca volvulus 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Echinococcus granulosus aldo keto reductase 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Echinococcus multilocularis aldo keto reductase 0.0031 1 1
Echinococcus multilocularis aldehyde reductase 0.0022 0.6216 0.6216
Echinococcus granulosus hypothetical protein 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0009 0.072 0.072
Mycobacterium leprae Conserved hypothetical protein 0.0022 0.6216 0.5922
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Echinococcus multilocularis aldo keto reductase 0.0031 1 1
Trypanosoma brucei prostaglandin f synthase 0.0031 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 1 1
Schistosoma mansoni pol-related 0.0031 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 1 1
Leishmania major prostaglandin f synthase, putative 0.0031 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 1 1
Onchocerca volvulus 0.0031 1 1
Brugia malayi NADH-dependent xylose reductase 0.0009 0.072 0.072

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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