Detailed information for compound 151963

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.296 | Formula: C14H11F3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)C1=C(O)SC(C1=O)Cc1cccc(c1)C(F)(F)F
  • InChi: 1S/C14H11F3O3S/c1-7(18)11-12(19)10(21-13(11)20)6-8-3-2-4-9(5-8)14(15,16)17/h2-5,10,20H,6H2,1H3
  • InChiKey: LUMOUJVMUKKIHR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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 0.0021 0.1526 0.2466
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0006 0.0084 0.0084
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0069 0.6378 0.6378
Brugia malayi Uncoordinated protein 44 0.0021 0.1526 0.2392
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0006 0.0084 0.0084
Brugia malayi nuclear receptor NHR-88 0.0006 0.0084 0.0132
Echinococcus multilocularis Ankyrin 0.0021 0.1543 0.1543
Echinococcus granulosus ecdysone induced protein 78C 0.0006 0.0084 0.0084
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0021 0.1543 0.1909
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0006 0.0084 0.0132
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0021 0.1526 0.1526
Echinococcus multilocularis netrin receptor unc 5 0.0021 0.1526 0.1526
Schistosoma mansoni hypothetical protein 0.0021 0.1526 0.1886
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0006 0.0084 0.0132
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0006 0.0084 0.0136
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0006 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Loa Loa (eye worm) steroid hormone receptor 0.0006 0.0084 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0006 0.0084 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0006 0.0084 0.0132
Brugia malayi Protein kinase domain containing protein 0.0021 0.1526 0.2392
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0006 0.0084 0.0132
Echinococcus granulosus death domain containing protein 0.0021 0.1526 0.1526
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0006 0.0084 0.0132
Brugia malayi hypothetical protein 0.0055 0.4894 0.7674
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0106 1 1
Schistosoma mansoni jun-related protein 0.0056 0.5084 0.6539
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0006 0.0084 0.0084
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0006 0.0084 0.0084
Echinococcus granulosus FTZ F1 alpha 0.0006 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0006 0.0084 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0006 0.0084 0.0136
Schistosoma mansoni netrin receptor unc5 0.0021 0.1526 0.1886
Onchocerca volvulus 0.0055 0.4894 1
Echinococcus multilocularis jun protein 0.0069 0.6378 0.6378
Leishmania major calcium channel protein, putative,ion transporter, putative 0.008 0.7391 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0006 0.0084 0.0084
Echinococcus granulosus netrin receptor unc 5 0.0021 0.1526 0.1526
Brugia malayi nuclear hormone receptor 0.0006 0.0084 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0006 0.0084 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0006 0.0084 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0006 0.0084 0.0136
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0006 0.0084 0.0136
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0069 0.6378 0.6378
Echinococcus multilocularis thyroid hormone receptor alpha 0.0083 0.773 0.773
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0006 0.0084 0.0136
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0006 0.0084 0.0136
Echinococcus granulosus sodium channel protein 0.008 0.7391 0.7391
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.008 0.7391 0.7391
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0077 0.7116 0.7116
Echinococcus multilocularis FTZ F1 alpha 0.0006 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0021 0.1526 0.2466
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0006 0.0084 0.0136
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0006 0.0084 0.0084
Brugia malayi photoreceptor-specific nuclear receptor 0.0006 0.0084 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0006 0.0084 0.0132
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Echinococcus granulosus Ankyrin 0.0021 0.1543 0.1543
Onchocerca volvulus Netrin receptor homolog 0.0021 0.1526 0.2997
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0006 0.0084 0.0132
Brugia malayi bZIP transcription factor family protein 0.0069 0.6378 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0006 0.0084 0.0132
Schistosoma mansoni hypothetical protein 0.0056 0.5084 0.6539
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0006 0.0084 0.0084
Schistosoma mansoni ankyrin 23/unc44 0.0021 0.1526 0.1886
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0084 0.0132
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0077 0.7116 0.7116
Schistosoma mansoni thyroid hormone receptor 0.0083 0.773 1
Echinococcus multilocularis sodium channel protein 0.008 0.7391 0.7391
Loa Loa (eye worm) hypothetical protein 0.0068 0.6188 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0006 0.0084 0.0132
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Loa Loa (eye worm) hypothetical protein 0.0021 0.1543 0.2494
Echinococcus granulosus jun protein 0.0069 0.6378 0.6378
Brugia malayi ecdysteroid receptor 0.0006 0.0084 0.0132
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0006 0.0084 0.0084
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.1526 0.2392
Brugia malayi steroid hormone receptor 0.0006 0.0084 0.0132
Brugia malayi Death domain containing protein 0.0021 0.1526 0.2392
Brugia malayi Steroid receptor seven-up type 2 0.0006 0.0084 0.0132
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0021 0.1526 0.1526
Schistosoma mansoni thyroid hormone receptor 0.0083 0.773 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0006 0.0084 0.0084
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0006 0.0084 0.0084
Schistosoma mansoni hypothetical protein 0.0077 0.7116 0.9197
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Echinococcus multilocularis ecdysone induced protein 78C 0.0006 0.0084 0.0084
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0006 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0006 0.0084 0.0136
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0006 0.0084 0.0132

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 3.13 ug ml-1 Antibacterial activity against Pasteurella multocida ChEMBL. 11591516
MIC (functional) = 3.13 ug ml-1 Antibacterial activity against Staphylococcus aureus ChEMBL. 11591516

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.

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