Detailed information for compound 1092254

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 236.193 | Formula: C12H7F3N2
  • H donors: 1 H acceptors: 1 LogP: 3.2 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc2c(c1)[nH]c1c2cncc1)(F)F
  • InChi: 1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-6-16-4-3-10(9)17-11(8)5-7/h1-6,17H
  • InChiKey: KIWJOOAVNSHSAY-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
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
Plasmodium berghei 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
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
Toxoplasma gondii kinesin motor domain-containing protein 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
Echinococcus multilocularis kinesin family 1 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
Plasmodium yoelii Kinesin motor domain, putative 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
Giardia lamblia 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
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
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus granulosus kinesin family 1 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
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0132 0.5
Entamoeba histolytica kinesin, putative 0.0032 0.056 0.4774
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0132 0.5
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.056 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0132 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0466 0.7807
Entamoeba histolytica hypothetical protein 0.0043 0.1028 1
Giardia lamblia Kinesin-5 0.0032 0.056 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0466 0.7807
Brugia malayi hypothetical protein 0.003 0.0466 0.4534
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1028 0.0908
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.056 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0466 0.7807
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0132 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0132 0.5
Echinococcus multilocularis kinesin family 1 0.0247 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1028 0.106
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0132 0.1286
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0466 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.7807
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0466 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0466 0.7807
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0132 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1028 0.0908
Leishmania major hypothetical protein, conserved 0.003 0.0466 1
Brugia malayi hypothetical protein 0.0043 0.1028 1
Plasmodium falciparum kinesin-5 0.0032 0.056 1
Schistosoma mansoni kinesin eg-5 0.0032 0.056 0.0506
Brugia malayi Kinesin motor domain containing protein 0.0032 0.056 0.5446
Entamoeba histolytica hypothetical protein 0.0043 0.1028 1
Plasmodium vivax kinesin-5 0.0032 0.056 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0466 1
Entamoeba histolytica hypothetical protein 0.0043 0.1028 1
Schistosoma mansoni hypothetical protein 0.0215 0.8591 1
Entamoeba histolytica hypothetical protein 0.0043 0.1028 1
Schistosoma mansoni hypothetical protein 0.0043 0.1028 0.106

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.095 uM Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay ChEMBL. 21599002
IC50 (binding) = 0.095 uM Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measured after 15 mins by luminescence assay ChEMBL. 24794744
IC50 (functional) = 1.4 uM Cytotoxicity against human HeLa cells after 72 hrs by MTS assay ChEMBL. 21599002

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21599002

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

2 literature references were collected for this gene.

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