Detailed information for compound 1328809

Basic information

Technical information
  • TDR Targets ID: 1328809
  • Name: 2,2,2-trifluoro-1-[1-(2-morpholin-4-yl-2-oxoe thyl)indol-3-yl]ethanone
  • MW: 340.297 | Formula: C16H15F3N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOCC1)Cn1cc(c2c1cccc2)C(=O)C(F)(F)F
  • InChi: 1S/C16H15F3N2O3/c17-16(18,19)15(23)12-9-21(13-4-2-1-3-11(12)13)10-14(22)20-5-7-24-8-6-20/h1-4,9H,5-8,10H2
  • InChiKey: LQDGWURAHOPYGM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2,2,2-trifluoro-1-[1-(2-morpholino-2-oxo-ethyl)indol-3-yl]ethanone
  • 2,2,2-trifluoro-1-[1-(2-morpholino-2-oxoethyl)-3-indolyl]ethanone
  • 2,2,2-trifluoro-1-[1-(2-keto-2-morpholino-ethyl)indol-3-yl]ethanone
  • 2,2,2-trifluoro-1-[1-(2-morpholin-4-yl-2-oxo-ethyl)indol-3-yl]ethanone
  • SMR000271700
  • ZINC02812805
  • 2,2,2-trifluoro-1-{1-[2-(4-morpholinyl)-2-oxoethyl]-1H-indol-3-yl}ethanone
  • MLS000677536

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0975 0.0975
Onchocerca volvulus 0.0248 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0901 0.0765
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0209 0.8175 0.5
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0209 0.8175 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0248 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0209 0.8175 1
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0167 0.6221 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0901 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0209 0.8175 1
Onchocerca volvulus 0.0169 0.6289 0.018
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0209 0.8175 1
Leishmania major hypothetical protein, conserved 0.0064 0.1385 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0056 0.0975 0.084
Brugia malayi hypothetical protein 0.0054 0.0901 0.0901
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0167 0.6221 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0209 0.8175 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0145 0.5149 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0209 0.8175 0.8148
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0209 0.8175 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0975 0.0975
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0209 0.8175 0.8175
Loa Loa (eye worm) pip kinase 2 0.0167 0.6221 0.6164
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0064 0.1385 1
Brugia malayi hypothetical protein 0.0169 0.6289 0.6289
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0209 0.8175 0.5
Loa Loa (eye worm) hypothetical protein 0.0169 0.6289 0.6234
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0167 0.6221 0.5
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0167 0.6221 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0975 0.084
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0209 0.8175 1
Brugia malayi Pip kinase protein 2 0.0167 0.6221 0.6221
Onchocerca volvulus 0.0209 0.8175 0.5172
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0209 0.8175 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0901 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.6221 0.6164
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.1385 1
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0901 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0901 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.1385 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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