Detailed information for compound 877780

Basic information

Technical information
  • TDR Targets ID: 877780
  • Name: 1-butoxy-3-[4-[5-(trifluoromethyl)pyridin-2-y l]piperazin-1-yl]propan-2-ol
  • MW: 361.402 | Formula: C17H26F3N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOCC(CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)O
  • InChi: 1S/C17H26F3N3O2/c1-2-3-10-25-13-15(24)12-22-6-8-23(9-7-22)16-5-4-14(11-21-16)17(18,19)20/h4-5,11,15,24H,2-3,6-10,12-13H2,1H3
  • InChiKey: YGEPEFDZXOBUFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-butoxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-2-ol
  • 1-butoxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1-piperazinyl]propan-2-ol

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
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Echinococcus multilocularis aminopeptidase N 0.0154 0.0253 0.0128
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0154 0.0253 0.0253
Onchocerca volvulus 0.0154 0.0253 0.5
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0154 0.0253 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Toxoplasma gondii aminopeptidase N, putative 0.0154 0.0253 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0154 0.0253 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Trypanosoma brucei Aminopeptidase M1, putative 0.0154 0.0253 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0154 0.0253 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0154 0.0253 0.5
Brugia malayi hypothetical protein 0.133 0.4439 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.2893 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0154 0.0253 0.0128
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0154 0.0253 0.0253
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.2893 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Trypanosoma cruzi aminopeptidase, putative 0.0154 0.0253 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0154 0.0253 0.5
Toxoplasma gondii aminopeptidase N protein 0.0154 0.0253 0.5
Onchocerca volvulus 0.0154 0.0253 0.5
Echinococcus granulosus aminopeptidase N 0.0154 0.0253 0.0128
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0154 0.0253 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0154 0.0253 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0154 0.0253 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0154 0.0253 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0154 0.0253 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0154 0.0253 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0154 0.0253 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0154 0.0253 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Schistosoma mansoni aminopeptidase A (M01 family) 0.0154 0.0253 0.0253
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0154 0.0253 0.5
Entamoeba histolytica aminopeptidase, putative 0.0154 0.0253 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0154 0.0253 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0154 0.0253 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0154 0.0253 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0154 0.0253 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0154 0.0253 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0154 0.0253 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.2893 1 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0154 0.0253 0.5
Trypanosoma brucei aminopeptidase, putative 0.0154 0.0253 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0154 0.0253 0.0253
Schistosoma mansoni lipoxygenase 0.0118 0.0127 0.0127
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Onchocerca volvulus 0.0154 0.0253 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0154 0.0253 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0154 0.0253 0.0128
Trypanosoma cruzi aminopeptidase, putative 0.0154 0.0253 0.5

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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