Detailed information for compound 1891519

Basic information

Technical information
  • TDR Targets ID: 1891519
  • Name: 3-(3-fluorophenyl)-2-[(2,2,2-trifluoroacetyl) amino]propanoic acid
  • MW: 279.188 | Formula: C11H9F4NO3
  • H donors: 2 H acceptors: 3 LogP: 2.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(NC(=O)C(F)(F)F)Cc1cccc(c1)F
  • InChi: 1S/C11H9F4NO3/c12-7-3-1-2-6(4-7)5-8(9(17)18)16-10(19)11(13,14)15/h1-4,8H,5H2,(H,16,19)(H,17,18)
  • InChiKey: PBRPOSBJIMMHOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3-fluorophenyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid
  • 3-(3-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid
  • 3-(3-fluorophenyl)-2-(2,2,2-trifluoroethanoylamino)propanoic acid
  • 39801-55-3
  • NSC306122

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 nuclear receptor 2DBD gamma 0.0011 0.0953 0.1711
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0953 0.1711
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0953 0.1711
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0531 0.0531
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0953 0.0953
Brugia malayi nuclear receptor RXR 0.0006 0.0162 0.0183
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0953 0.0953
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0.0767 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.4619 0.4619
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Brugia malayi steroid hormone receptor 0.0011 0.0953 0.1711
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0953 0.1711
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0953 0.1711
Schistosoma mansoni transcription factor LCR-F1 0.004 0.525 0.525
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0953 0.1711
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0953 0.0953
Entamoeba histolytica hypothetical protein 0.004 0.525 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0953 0.1711
Entamoeba histolytica hypothetical protein 0.004 0.525 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0953 0.1711
Loa Loa (eye worm) histone methyltransferase 0.001 0.0839 0.1812
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0953 0.2079
Brugia malayi ecdysteroid receptor 0.0011 0.0953 0.1711
Onchocerca volvulus 0.0034 0.4331 1
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0067 0.0067
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.4331 1
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0.0767 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0953 0.0953
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0162 0.0183
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0819 0.1452
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0067 0.0067
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0953 0.1711
Schistosoma mansoni ferritin light chain 0.001 0.0767 0.0767
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Brugia malayi nuclear hormone receptor 0.0011 0.0953 0.1711
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0953 0.1711
Schistosoma mansoni nuclear receptor 0.0005 0.0067 0.0067
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0162 0.0183
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0953 0.2079
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0953 0.0953
Echinococcus multilocularis ferritin 0.001 0.0767 0.1352
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0953 0.1711
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0767 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0953 0.1711
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0953 0.1711
Schistosoma mansoni apoferritin-2 0.001 0.0767 0.0767
Onchocerca volvulus 0.0011 0.0953 0.2079
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0953 0.1711
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0953 0.1711
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0953 0.1711
Trichomonas vaginalis ferritin, putative 0.001 0.0767 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0953 0.2079
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0953 0.2079
Schistosoma mansoni hypothetical protein 0.004 0.525 0.525
Entamoeba histolytica hypothetical protein 0.004 0.525 0.5
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0953 0.1711
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0953 0.1711
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0839 0.149
Entamoeba histolytica hypothetical protein 0.004 0.525 0.5
Brugia malayi hypothetical protein 0.0006 0.0162 0.0183
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0953 0.2079
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0953 0.2079
Brugia malayi hypothetical protein 0.004 0.525 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0953 0.1711
Brugia malayi CXXC zinc finger family protein 0.0034 0.4331 0.8227
Schistosoma mansoni cpg binding protein 0.0035 0.4619 0.4619
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0953 0.1711
Loa Loa (eye worm) hypothetical protein 0.0006 0.0162 0.0223
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0953 0.2079
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0.0767 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0953 0.1711
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0953 0.1711
Loa Loa (eye worm) hypothetical protein 0.0006 0.0162 0.0223
Brugia malayi nuclear receptor NHR-88 0.0011 0.0953 0.1711
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0953 0.0953
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0953 0.0953
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0162 0.0183
Loa Loa (eye worm) hypothetical protein 0.0006 0.0162 0.0223
Brugia malayi hypothetical protein 0.0006 0.0162 0.0183
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0953 0.1711
Schistosoma mansoni cpg binding protein 0.0034 0.4331 0.4331
Echinococcus multilocularis expressed protein 0.001 0.0767 0.1352
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0953 0.1711
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0953 0.1711
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0953 0.2079
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.525 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0162 0.0162
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0953 0.0953
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0953 0.2079
Schistosoma mansoni ferritin light chain 0.001 0.0767 0.0767
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0953 0.0953
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Echinococcus multilocularis cpg binding protein 0.0035 0.4619 0.8783
Echinococcus granulosus cpg binding protein 0.0035 0.4619 0.8783
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.525 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0953 0.1711
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0953 0.1711
Schistosoma mansoni nuclear receptor 0.0005 0.0067 0.0067
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0953 0.0953
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0953 0.1711
Schistosoma mansoni apoferritin-2 0.001 0.0767 0.0767
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0.0767 0.5
Echinococcus granulosus expressed protein 0.001 0.0767 0.1352
Schistosoma mansoni coup transcription factor 0.0011 0.0953 0.0953
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0162 0.0162
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0839 0.149
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0953 0.0953
Loa Loa (eye worm) hypothetical protein 0.0006 0.0162 0.0223
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0953 0.1711
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0953 0.2079
Echinococcus granulosus ferritin 0.001 0.0767 0.1352
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0953 0.1711
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0162 0.0223
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0531 0.0896
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0067 0.0067
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0767 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.8854 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0162 0.0183
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0531 0.0896
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0953 0.0953
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0953 0.1711
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0953 0.1711
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0531 0.0896
Loa Loa (eye worm) hypothetical protein 0.0011 0.0953 0.2079
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0767 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0531 0.0896
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0006 0.0162 0.0223
Schistosoma mansoni zinc finger protein 0.0005 0.0067 0.0067
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0953 0.2079
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0953 0.1711
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0953 0.1711

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.