Detailed information for compound 589798

Basic information

Technical information
  • TDR Targets ID: 589798
  • Name: N-[3-(2-allyloxyphenoxy)-2-hydroxy-propyl]-N- isopropyl-nitrous amide
  • MW: 294.346 | Formula: C15H22N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.65 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1ccccc1OCC(CN(C(C)C)N=O)O
  • InChi: 1S/C15H22N2O4/c1-4-9-20-14-7-5-6-8-15(14)21-11-13(18)10-17(16-19)12(2)3/h4-8,12-13,18H,1,9-11H2,2-3H3
  • InChiKey: YNIJTDHMIVPPSK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(2-allyloxyphenoxy)-2-hydroxypropyl]-N-isopropylnitrous amide
  • N-[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-N-propan-2-yl-nitrous amide
  • N-[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-N-propan-2-ylnitrous amide
  • N-nitrosooxprenolol
  • 96497-86-8
  • 1-((1-Methylethyl)nitrosoamino)-3-(2-(2-propenyloxy)phenoxy)-2-propanol
  • 2-Propanol, 1-((1-methylethyl)nitrosoamino)-3-(2-(2-propenyloxy)phenoxy)-
  • BRN 4878991
  • CCRIS 4202
  • N-Nitrosooxprenol
  • Oxprenolol nitrosamine

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) hypothetical protein 0.0024 0.0982 0.2403
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.1481 0.3623
Trichomonas vaginalis conserved hypothetical protein 0.004 0.178 0.4157
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.3418 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Echinococcus granulosus cpg binding protein 0.0036 0.158 0.158
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0084 0.4089 1
Echinococcus granulosus enteropeptidase 0.0024 0.0982 0.0982
Echinococcus granulosus glycoprotein Antigen 5 0.0024 0.0982 0.0982
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0084 0.4089 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0024 0.0982 0.2403
Brugia malayi Trypsin family protein 0.0024 0.0982 0.2403
Loa Loa (eye worm) hypothetical protein 0.0024 0.0982 0.2403
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.1921 0.1921
Loa Loa (eye worm) hypothetical protein 0.0024 0.0982 0.2403
Echinococcus granulosus transmembrane protease serine 3 0.0024 0.0982 0.0982
Loa Loa (eye worm) hypothetical protein 0.0024 0.0982 0.2403
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0175 0.0175
Schistosoma mansoni hypothetical protein 0.0042 0.1921 0.1921
Brugia malayi hypothetical protein 0.0024 0.0982 0.2403
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.3418 1
Echinococcus multilocularis cpg binding protein 0.0036 0.158 0.158
Brugia malayi Protein kinase domain containing protein 0.0017 0.0632 0.1545
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0084 0.4089 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0982 0.2403
Schistosoma mansoni cpg binding protein 0.0034 0.1481 0.1481
Onchocerca volvulus 0.0024 0.0982 0.6632
Brugia malayi Trypsin family protein 0.0024 0.0982 0.2403
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Echinococcus multilocularis aspartyl aminopeptidase 0.0084 0.4089 0.4089
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0084 0.4089 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.343 0.343
Brugia malayi Trypsin family protein 0.0024 0.0982 0.2403
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0175 0.0175
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0024 0.0982 0.0982
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.3418 0.3418
Onchocerca volvulus 0.0034 0.1481 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0982 0.2403
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Schistosoma mansoni cpg binding protein 0.0036 0.158 0.158
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.3418 0.3418
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0024 0.0982 0.0982
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0281 0.0281
Brugia malayi hypothetical protein 0.0042 0.1921 0.4697
Schistosoma mansoni hypothetical protein 0.0024 0.0982 0.0982
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0084 0.4089 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0024 0.0982 0.0982
Loa Loa (eye worm) TK/ROR protein kinase 0.0017 0.0632 0.1545
Toxoplasma gondii kringle domain-containing protein 0.0017 0.0632 0.1848
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.1921 0.1921
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0084 0.4089 0.4089
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0175 0.0175
Onchocerca volvulus 0.0017 0.0632 0.4264
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Loa Loa (eye worm) hypothetical protein 0.0017 0.0632 0.1545
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0175 0.0175
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Schistosoma mansoni cpg binding protein 0.0036 0.158 0.158
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0084 0.4089 1
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0084 0.4089 1
Loa Loa (eye worm) aspartyl aminopeptidase 0.0084 0.4089 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.3418 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.004 0.178 0.4157
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0024 0.0982 0.0982
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0084 0.4089 1
Schistosoma mansoni hypothetical protein 0.0199 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.3418 0.806
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0084 0.4089 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.004 0.178 0.4157
Onchocerca volvulus 0.0024 0.0982 0.6632
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.3418 0.3418
Brugia malayi Trypsin-like protease protein 5 0.0024 0.0982 0.2403
Brugia malayi Trypsin family protein 0.0024 0.0982 0.2403
Onchocerca volvulus 0.0024 0.0982 0.6632
Trichomonas vaginalis conserved hypothetical protein 0.004 0.178 0.4157
Loa Loa (eye worm) hypothetical protein 0.0084 0.4089 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.3036 0.8883
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Echinococcus granulosus aspartyl aminopeptidase 0.0084 0.4089 0.4089
Schistosoma mansoni hypothetical protein 0.0017 0.0632 0.0632
Loa Loa (eye worm) hypothetical protein 0.0084 0.4089 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Echinococcus granulosus tissue type plasminogen activator 0.0017 0.0632 0.0632
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0084 0.4089 0.5
Schistosoma mansoni hypothetical protein 0.0199 1 1
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0084 0.4089 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0024 0.0982 0.0982
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.3418 0.3418
Echinococcus granulosus Mastin 0.0024 0.0982 0.0982
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0281 0.0281
Giardia lamblia High cysteine protein 0.0005 0 0.5
Onchocerca volvulus 0.0024 0.0982 0.6632
Echinococcus multilocularis glycoprotein Antigen 5 0.0024 0.0982 0.0982
Loa Loa (eye worm) histone methyltransferase 0.001 0.0281 0.0687
Schistosoma mansoni hypothetical protein 0.0024 0.0982 0.0982
Onchocerca volvulus 0.0024 0.0982 0.6632
Trichomonas vaginalis hypothetical protein 0.004 0.178 0.4157
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.3418 1
Brugia malayi Kringle domain containing protein 0.0017 0.0632 0.1545
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Echinococcus multilocularis tissue type plasminogen activator 0.0017 0.0632 0.0632
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.1921 0.1921
Loa Loa (eye worm) trypsin family protein 0.0024 0.0982 0.2403
Entamoeba histolytica aminopeptidase, putative 0.0084 0.4089 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0041 0.1832 0.1832
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0084 0.4089 1
Echinococcus multilocularis enteropeptidase 0.0024 0.0982 0.0982
Echinococcus multilocularis geminin 0.0199 1 1
Brugia malayi Aspartyl aminopeptidase 0.0084 0.4089 1
Echinococcus multilocularis transmembrane protease serine 3 0.0024 0.0982 0.0982
Trichomonas vaginalis conserved hypothetical protein 0.004 0.178 0.4157
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.004 0.178 0.4157
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0084 0.4089 1
Echinococcus multilocularis Mastin 0.0024 0.0982 0.0982
Onchocerca volvulus 0.0024 0.0982 0.6632
Loa Loa (eye worm) hypothetical protein 0.0024 0.0982 0.2403
Brugia malayi CXXC zinc finger family protein 0.0034 0.1481 0.3623
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0274 0.067
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0024 0.0982 0.0982
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0175 0.0175
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0084 0.4089 0.4089

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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