Detailed information for compound 586806

Basic information

Technical information
  • TDR Targets ID: 586806
  • Name: 1-butyl-1-nitroso-urea
  • MW: 145.16 | Formula: C5H11N3O2
  • H donors: 1 H acceptors: 2 LogP: 0.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C(=O)N)N=O
  • InChi: 1S/C5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h2-4H2,1H3,(H2,6,9)
  • InChiKey: LSWOCDLIYSKTRX-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-butyl-1-nitrosourea
  • N-nitrosobutylurea
  • 869-01-2
  • 1-04-00-00372 (Beilstein Handbook Reference)
  • 1-Butyl-nitrosourea
  • 1-Nitroso-1-butylurea
  • BNU
  • BRN 1768951
  • BUTYLNITROSOUREA
  • Butylnitrosoharnstoff [German]
  • CCRIS 110
  • HSDB 5121
  • NSC 45639
  • Nitrosobutylurea
  • Urea, N-butyl-N-nitroso- (9CI)
  • Butylnitrosoharnstoff
  • N-Butyl-N-nitrosourea
  • N-Butylnitrosourea
  • N-Nitroso-N-butylurea
  • N-n-Butyl-N-nitrosourea
  • NSC45639
  • Urea, 1-butyl-1-nitroso-
  • Urea, N-butyl-N-nitroso-
  • WLN: ZVN4&NO

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
Onchocerca volvulus 0.0062 0.263 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1257 0.1257
Loa Loa (eye worm) hypothetical protein 0.0062 0.263 0.263
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.263 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.263 0.263
Echinococcus multilocularis aldo keto reductase 0.0062 0.263 0.263
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Trypanosoma brucei aldo-keto reductase, putative 0.0062 0.263 0.5
Loa Loa (eye worm) oxidoreductase 0.0062 0.263 0.263
Trypanosoma brucei prostaglandin f synthase 0.0062 0.263 0.5
Echinococcus granulosus aldo keto reductase 0.0062 0.263 0.263
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Echinococcus multilocularis aldo keto reductase 0.0062 0.263 0.263
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.263 0.263
Giardia lamblia Aldose reductase 0.0062 0.263 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Entamoeba histolytica aldose reductase, putative 0.0062 0.263 0.5
Giardia lamblia Aldose reductase 0.0062 0.263 0.5
Loa Loa (eye worm) oxidoreductase 0.0062 0.263 0.263
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Entamoeba histolytica aldose reductase, putative 0.0062 0.263 0.5
Entamoeba histolytica aldose reductase, putative 0.0062 0.263 0.5
Onchocerca volvulus 0.0062 0.263 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.263 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0062 0.263 1
Onchocerca volvulus 0.0062 0.263 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0062 0.263 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Onchocerca volvulus 0.0062 0.263 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1257 0.1257
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.263 0.5
Onchocerca volvulus 0.0062 0.263 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Echinococcus multilocularis muscleblind protein 1 0.0149 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1257 0.1257
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.263 0.263
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Schistosoma mansoni aldo-keto reductase 0.0062 0.263 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Echinococcus multilocularis aldo keto reductase 0.0062 0.263 0.263
Schistosoma mansoni pol-related 0.0062 0.263 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0062 0.263 0.5
Loa Loa (eye worm) oxidoreductase 0.0062 0.263 0.263
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1257 0.1257
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1257 0.4781
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Leishmania major prostaglandin f synthase, putative 0.0062 0.263 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.263 0.263
Echinococcus multilocularis aldo keto reductase 0.0062 0.263 0.263
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1257 0.1257
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.263 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.263 0.5
Echinococcus multilocularis aldehyde reductase 0.0044 0.1115 0.1115
Echinococcus multilocularis muscleblind protein 0.0149 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1257 0.4781
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Mycobacterium tuberculosis Probable oxidoreductase 0.0062 0.263 0.5
Leishmania major aldo-keto reductase-like protein 0.0062 0.263 0.5
Echinococcus granulosus aldo keto reductase 0.0062 0.263 0.263
Echinococcus granulosus muscleblind protein 0.0149 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1257 0.4781
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Toxoplasma gondii aldose reductase, putative 0.0062 0.263 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1257 0.1257
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Echinococcus granulosus aldo keto reductase 0.0062 0.263 0.263
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.263 0.263
Mycobacterium ulcerans oxidoreductase 0.0062 0.263 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Echinococcus granulosus aldehyde reductase 0.0044 0.1115 0.1115
Trypanosoma cruzi aldo-keto reductase 0.0062 0.263 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0062 0.263 0.5
Echinococcus granulosus hypothetical protein 0.0062 0.263 0.263
Schistosoma mansoni aldo-keto reductase 0.0062 0.263 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.263 0.5
Loa Loa (eye worm) oxidoreductase 0.0062 0.263 0.263
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.263 0.5
Onchocerca volvulus 0.0062 0.263 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.263 0.263
Loa Loa (eye worm) oxidoreductase 0.0062 0.263 0.263

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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