Detailed information for compound 258739

Basic information

Technical information
  • TDR Targets ID: 258739
  • Name: 2-[4-(trifluoromethyl)phenyl]quinoline-4-carb oxylic acid
  • MW: 317.262 | Formula: C17H10F3NO2
  • H donors: 1 H acceptors: 3 LogP: 4.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C17H10F3NO2/c18-17(19,20)11-7-5-10(6-8-11)15-9-13(16(22)23)12-3-1-2-4-14(12)21-15/h1-9H,(H,22,23)
  • InChiKey: DYBCZSIHZLWHTQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid
  • 2-[4-(trifluoromethyl)phenyl]cinchoninic acid
  • 4-Quinolinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-
  • AIDS-228055
  • AIDS228055

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) immunoglobulin I-set domain-containing protein 0.0073 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Echinococcus granulosus roundabout 2 0.0073 0.0566 0.0566
Echinococcus granulosus hemicentin 1 0.0073 0.0566 0.0566
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0073 0.0566 0.0566
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0073 0.0566 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.009 0.2948 0.2948
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0073 0.0566 0.0566
Echinococcus granulosus contactin 0.0073 0.0566 0.0566
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Brugia malayi Peroxidasin 0.0073 0.0566 0.1038
Echinococcus granulosus neuroglian 0.0073 0.0566 0.0566
Echinococcus multilocularis neuroglian 0.0118 0.6925 0.6925
Schistosoma mansoni tyrosine kinase 0.0091 0.3075 0.3946
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.014 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0073 0.0566 0.0566
Echinococcus granulosus roundabout 2 0.0073 0.0566 0.0566
Echinococcus multilocularis hemicentin 1 0.0073 0.0566 0.0566
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Brugia malayi Immunoglobulin I-set domain containing protein 0.0108 0.5457 1
Echinococcus multilocularis hemicentin 1 0.0073 0.0566 0.0566
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0073 0.0566 0.0566
Echinococcus granulosus peroxidasin 0.0073 0.0566 0.0566
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0073 0.0566 0.0566
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0073 0.0566 0.0566
Echinococcus multilocularis roundabout 2 0.014 1 1
Echinococcus granulosus lachesin 0.0073 0.0566 0.0566
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0073 0.0566 0.0566
Echinococcus multilocularis roundabout 2 0.0073 0.0566 0.0566
Echinococcus granulosus tyrosine protein kinase otk 0.0073 0.0566 0.0566
Schistosoma mansoni nephrin 0.0118 0.6925 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Echinococcus multilocularis tyrosine protein kinase otk 0.0073 0.0566 0.0566
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0073 0.0566 0.0566
Brugia malayi Prion-like- 0.0073 0.0566 0.1038
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Echinococcus multilocularis neuroglian 0.0073 0.0566 0.0566
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Echinococcus multilocularis peroxidasin 0.0073 0.0566 0.0566
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0073 0.0566 0.0566
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0566 0.1038
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0108 0.5457 0.5457
Loa Loa (eye worm) hypothetical protein 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Schistosoma mansoni cell adhesion molecule 0.009 0.2948 0.3746
Loa Loa (eye worm) hypothetical protein 0.009 0.2948 0.2948
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Echinococcus multilocularis roundabout 2 0.0073 0.0566 0.0566
Echinococcus granulosus neuroglian 0.0118 0.6925 0.6925
Echinococcus granulosus twitchin 0.0118 0.6925 0.6925
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0073 0.0566 0.0566
Echinococcus multilocularis lachesin 0.0073 0.0566 0.0566

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Aminoacylation activity against Candida albicans prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against human prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against Candida albicans prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against human prolyl-tRNA synthetase ChEMBL. 11229766

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

1 literature reference was collected for this gene.

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