Detailed information for compound 876794

Basic information

Technical information
  • TDR Targets ID: 876794
  • Name: 1-ethoxy-3-[4-[5-(trifluoromethyl)pyridin-2-y l]-1,4-diazepan-1-yl]propan-2-ol
  • MW: 347.376 | Formula: C16H24F3N3O2
  • H donors: 1 H acceptors: 2 LogP: 1.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCC(CN1CCCN(CC1)c1ccc(cn1)C(F)(F)F)O
  • InChi: 1S/C16H24F3N3O2/c1-2-24-12-14(23)11-21-6-3-7-22(9-8-21)15-5-4-13(10-20-15)16(17,18)19/h4-5,10,14,23H,2-3,6-9,11-12H2,1H3
  • InChiKey: KYAPYYFGTCZJTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethoxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]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 granulosus BC026374 protein S09 family 0.0592 0.163 0.1536
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0112 0.0087
Loa Loa (eye worm) acetylcholinesterase 1 0.3502 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0592 0.163 0.1609
Brugia malayi Carboxylesterase family protein 0.3502 1 1
Leishmania major hypothetical protein, conserved 0.0025 0 0.5
Brugia malayi hypothetical protein 0.0592 0.163 0.163
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0112 0.0112
Onchocerca volvulus 0.0592 0.163 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0112 0.0087
Onchocerca volvulus 0.0592 0.163 0.5
Loa Loa (eye worm) carboxylesterase 0.0592 0.163 0.163
Loa Loa (eye worm) hypothetical protein 0.3502 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0 0.5
Echinococcus multilocularis neuroligin 0.0592 0.163 0.1536
Echinococcus granulosus carboxylesterase 5A 0.3502 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0592 0.163 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0592 0.163 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0592 0.163 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.007 0.007
Echinococcus granulosus para nitrobenzyl esterase 0.0592 0.163 0.1536
Schistosoma mansoni BC026374 protein (S09 family) 0.0592 0.163 0.1609
Loa Loa (eye worm) RNA binding protein 0.0064 0.0112 0.0112
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0112 0.0112
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0592 0.163 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0592 0.163 0.1536
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.3502 1 1
Loa Loa (eye worm) hypothetical protein 0.0592 0.163 0.163
Onchocerca volvulus 0.0592 0.163 0.5
Loa Loa (eye worm) hypothetical protein 0.0592 0.163 0.163
Echinococcus granulosus acetylcholinesterase 0.3502 1 1
Loa Loa (eye worm) hypothetical protein 0.0592 0.163 0.163
Onchocerca volvulus 0.0592 0.163 0.5
Onchocerca volvulus 0.0592 0.163 0.5
Schistosoma mansoni gliotactin 0.0592 0.163 0.1609
Brugia malayi RNA binding protein 0.0064 0.0112 0.0112
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0034 0.0025 0.0025
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0025 0.0025
Echinococcus multilocularis carboxylesterase 5A 0.3502 1 1
Loa Loa (eye worm) hypothetical protein 0.3502 1 1
Loa Loa (eye worm) hypothetical protein 0.0592 0.163 0.163
Brugia malayi Carboxylesterase family protein 0.0592 0.163 0.163
Echinococcus granulosus neuroligin 0.0592 0.163 0.1536
Loa Loa (eye worm) hypothetical protein 0.0592 0.163 0.163
Loa Loa (eye worm) carboxylesterase 0.3502 1 1
Brugia malayi Carboxylesterase family protein 0.0592 0.163 0.163
Echinococcus multilocularis acetylcholinesterase 0.3502 1 1
Loa Loa (eye worm) hypothetical protein 0.0592 0.163 0.163
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.007 0.007
Brugia malayi Carboxylesterase family protein 0.0592 0.163 0.163
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Brugia malayi Carboxylesterase family protein 0.0592 0.163 0.163
Mycobacterium tuberculosis Carboxylesterase LipT 0.0592 0.163 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0049 0.007 0.007
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0112 0.0087
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.3502 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0592 0.163 0.1536
Schistosoma mansoni acetylcholinesterase 0.0592 0.163 0.1609
Brugia malayi TAR-binding protein 0.0064 0.0112 0.0112
Echinococcus multilocularis para nitrobenzyl esterase 0.0592 0.163 0.1536
Schistosoma mansoni neuroligin 3 (S09 family) 0.0592 0.163 0.1609
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0592 0.163 0.5
Echinococcus granulosus acetylcholinesterase 0.3502 1 1
Loa Loa (eye worm) hypothetical protein 0.0592 0.163 0.163
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0112 0.0087
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0592 0.163 0.1536
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0112 0.0087
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0592 0.163 0.1609
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0592 0.163 0.1609
Loa Loa (eye worm) carboxylesterase 0.0592 0.163 0.163

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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