Detailed information for compound 949896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.222 | Formula: C14H10F4O
  • H donors: 1 H acceptors: 1 LogP: 3.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(cc1)c1ccc(c(c1)F)C(F)(F)F
  • InChi: 1S/C14H10F4O/c15-13-7-11(5-6-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-7,19H,8H2
  • InChiKey: YQMBAPLAQJIRMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinesin family member 11 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Entamoeba histolytica kinesin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Loa Loa (eye worm) kinesin-like protein KLP2 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium falciparum kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium vivax kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Giardia lamblia Kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium yoelii Kinesin motor domain, putative Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma mansoni kinesin eg-5 Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma japonicum ko:K10398 kinesin family member 11, putative Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium parvum kinesin-like boursin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Toxoplasma gondii kinesin motor domain-containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Neospora caninum hypothetical protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium knowlesi kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Brugia malayi Kinesin motor domain containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium berghei kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
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) hypothetical protein 0.0074 0.1747 0.1747
Entamoeba histolytica hypothetical protein 0.004 0.0245 0.5
Echinococcus granulosus tar DNA binding protein 0.007 0.1576 0.1576
Schistosoma mansoni hypothetical protein 0.0074 0.1747 0.2208
Brugia malayi Pre-SET motif family protein 0.0223 0.8236 0.8236
Loa Loa (eye worm) hypothetical protein 0.0109 0.3253 0.3253
Loa Loa (eye worm) hypothetical protein 0.0263 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.8236 0.8236
Echinococcus multilocularis kinesin family 1 0.0247 0.9321 0.9321
Trichomonas vaginalis set domain proteins, putative 0.0253 0.9582 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0245 0.0245
Brugia malayi RNA binding protein 0.007 0.1576 0.1576
Echinococcus multilocularis survival motor neuron protein 1 0.0263 1 1
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0245 0.0309
Brugia malayi RNA recognition motif domain containing protein 0.007 0.1576 0.1576
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0245 0.0245
Loa Loa (eye worm) TAR-binding protein 0.007 0.1576 0.1576
Schistosoma mansoni tar DNA-binding protein 0.007 0.1576 0.1992
Echinococcus granulosus survival motor neuron protein 1 0.0263 1 1
Schistosoma mansoni hypothetical protein 0.004 0.0245 0.0309
Schistosoma mansoni survival motor neuron protein 0.0054 0.0841 0.1063
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.3253 0.3253
Schistosoma mansoni tar DNA-binding protein 0.007 0.1576 0.1992
Entamoeba histolytica hypothetical protein 0.004 0.0245 0.5
Loa Loa (eye worm) RNA binding protein 0.007 0.1576 0.1576
Onchocerca volvulus 0.0253 0.9582 1
Brugia malayi hypothetical protein 0.004 0.0245 0.0245
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.1576 0.1576
Schistosoma mansoni tar DNA-binding protein 0.007 0.1576 0.1992
Schistosoma mansoni hypothetical protein 0.0215 0.7914 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.1576 0.1992
Echinococcus multilocularis tar DNA binding protein 0.007 0.1576 0.1576
Entamoeba histolytica hypothetical protein 0.004 0.0245 0.5
Entamoeba histolytica hypothetical protein 0.004 0.0245 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.0841 0.1063
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.3253 0.3253
Schistosoma mansoni tar DNA-binding protein 0.007 0.1576 0.1992
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.3253 0.3253
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.1747 0.1747
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0841 0.0841
Echinococcus granulosus kinesin family 1 0.0247 0.9321 0.9321
Brugia malayi TAR-binding protein 0.007 0.1576 0.1576

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of ATPase activity of kid by luminescent kinase assay ChEMBL. 19167222
IC50 (binding) = 3.63 umol/L Inhibition of microtubule-stimulated recombinant Eg5 assessed as inhibition ATP hydrolysis by luminescent kinase assay ChEMBL. 19167222
IC50 (functional) = 33 umol/L Cytotoxicity against human HeLa cells after 48 hrs by MTS assay ChEMBL. 19167222

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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