Detailed information for compound 434356

Basic information

Technical information
  • TDR Targets ID: 434356
  • Name: [4-[3-(trifluoromethyl)phenyl]phenyl]urea
  • MW: 280.245 | Formula: C14H11F3N2O
  • H donors: 2 H acceptors: 1 LogP: 3.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Nc1ccc(cc1)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-10(8-11)9-4-6-12(7-5-9)19-13(18)20/h1-8H,(H3,18,19,20)
  • InChiKey: MHFIGSQWRVHNRG-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[4-[3-(trifluoromethyl)phenyl]phenyl]urea

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
Plasmodium falciparum kinesin-5 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
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Entamoeba histolytica kinesin, putative 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
Plasmodium vivax kinesin-5 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
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
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
Echinococcus granulosus kinesin family 1 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
Neospora caninum hypothetical protein 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
Cryptosporidium parvum kinesin-like boursin, putative 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
Giardia lamblia Kinesin-5 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 knowlesi kinesin-5, 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

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
Trypanosoma brucei beta tubulin 0.0028 0.0065 1
Leishmania major beta tubulin 0.0028 0.0065 1
Echinococcus granulosus Tubulin beta 2C chain 0.0028 0.0065 0.0717
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0081 1
Leishmania major beta tubulin 0.0028 0.0065 1
Loa Loa (eye worm) tubulin beta chain 0.0028 0.0065 0.7949
Schistosoma mansoni tubulin subunit beta 0.0028 0.0065 0.083
Entamoeba histolytica kinesin, putative 0.0032 0.0081 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0028 0.0065 0.0717
Leishmania major beta tubulin 0.0028 0.0065 1
Leishmania major beta tubulin 0.0028 0.0065 1
Giardia lamblia Beta tubulin 0.0028 0.0065 0.7949
Toxoplasma gondii beta tubulin 0.0028 0.0065 0.7949
Echinococcus multilocularis beta tubulin 0.0028 0.0065 0.0717
Toxoplasma gondii beta-1 tubulin, putative 0.0028 0.0065 0.7949
Echinococcus multilocularis kinesin family 1 0.0247 0.0901 1
Loa Loa (eye worm) BEN-1 protein 0.0028 0.0065 0.7949
Entamoeba histolytica tubulin family protein 0.0028 0.0065 0.7949
Leishmania major beta tubulin 0.0028 0.0065 1
Leishmania major beta tubulin 0.0028 0.0065 1
Echinococcus granulosus Tubulin beta 2C chain 0.0028 0.0065 0.0717
Loa Loa (eye worm) BEN-1 protein 0.0028 0.0065 0.7949
Giardia lamblia Beta tubulin 0.0028 0.0065 0.7949
Echinococcus multilocularis Tubulin beta 2C chain 0.0028 0.0065 0.0717
Loa Loa (eye worm) tubulin beta-1 chain 0.0028 0.0065 0.7949
Plasmodium falciparum tubulin beta chain 0.0028 0.0065 0.7949
Echinococcus multilocularis Tubulin beta 2C chain 0.0028 0.0065 0.0717
Leishmania major beta tubulin 0.0028 0.0065 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0028 0.0065 1
Schistosoma mansoni hypothetical protein 0.0215 0.0778 1
Plasmodium falciparum kinesin-5 0.0032 0.0081 1
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 0.2639 1 0.5
Trichomonas vaginalis tubulin, putative 0.0028 0.0065 1
Schistosoma mansoni tubulin subunit beta 0.0028 0.0065 0.083
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0028 0.0065 0.0717
Echinococcus multilocularis beta tubulin 0.0028 0.0065 0.0717
Leishmania major beta tubulin 0.0028 0.0065 1
Trypanosoma brucei beta tubulin 0.0028 0.0065 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0028 0.0065 0.7949
Echinococcus granulosus tubulin beta 4A class IVa 0.0028 0.0065 0.0717
Schistosoma mansoni kinesin eg-5 0.0032 0.0081 0.1044
Echinococcus multilocularis tubulin subunit beta 0.0028 0.0065 0.0717
Leishmania major beta tubulin 0.0028 0.0065 1
Brugia malayi beta-tubulin, identical 0.0028 0.0065 0.7949
Trypanosoma brucei beta tubulin 0.0028 0.0065 1
Schistosoma mansoni tubulin subunit beta 0.0028 0.0065 0.083
Entamoeba histolytica tubulin family protein 0.0028 0.0065 0.7949
Echinococcus granulosus tubulin subunit beta 0.0028 0.0065 0.0717
Leishmania major beta tubulin 0.0028 0.0065 1
Toxoplasma gondii beta-tubulin, putative 0.0028 0.0065 0.7949
Echinococcus granulosus Tubulin beta 2C chain 0.0028 0.0065 0.0717
Schistosoma mansoni tubulin subunit beta 0.0028 0.0065 0.083
Brugia malayi Tubulin beta-1 chain 0.0028 0.0065 0.7949
Loa Loa (eye worm) beta-tubulin 0.0028 0.0065 0.7949
Leishmania major beta tubulin 0.0028 0.0065 1
Leishmania major beta tubulin 0.0028 0.0065 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.0081 1
Leishmania major beta tubulin 0.0028 0.0065 1
Mycobacterium ulcerans 3-dehydroquinate dehydratase 0.2639 1 0.5
Leishmania major beta tubulin 0.0028 0.0065 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0028 0.0065 1
Leishmania major beta tubulin 0.0028 0.0065 1
Echinococcus granulosus beta tubulin 0.0028 0.0065 0.0717
Trichomonas vaginalis tubulin beta chain, putative 0.0028 0.0065 1
Plasmodium vivax kinesin-5 0.0032 0.0081 1
Trypanosoma cruzi beta tubulin, putative 0.0028 0.0065 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0028 0.0065 0.0717
Echinococcus granulosus beta tubulin 0.0028 0.0065 0.0717
Schistosoma mansoni tubulin subunit beta 0.0028 0.0065 0.083
Leishmania major beta tubulin 0.0028 0.0065 1
Giardia lamblia Beta tubulin 0.0028 0.0065 0.7949
Leishmania major beta tubulin 0.0028 0.0065 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0028 0.0065 0.0717
Loa Loa (eye worm) tubulin beta-4 chain 0.0028 0.0065 0.7949
Schistosoma mansoni tubulin subunit beta 0.0028 0.0065 0.083
Trichomonas vaginalis tubulin epsilon chain, putative 0.0028 0.0065 1
Giardia lamblia Kinesin-5 0.0032 0.0081 1
Leishmania major beta tubulin 0.0028 0.0065 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0028 0.0065 1
Echinococcus multilocularis tubulin beta 1 chain 0.0028 0.0065 0.0717
Trypanosoma brucei beta tubulin 0.0028 0.0065 1
Echinococcus granulosus Tubulin beta 2C chain 0.0028 0.0065 0.0717
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0081 1
Echinococcus granulosus tubulin beta 1 chain 0.0028 0.0065 0.0717
Plasmodium vivax tubulin beta chain, putative 0.0028 0.0065 0.7949
Echinococcus granulosus Tubulin beta 2C chain 0.0028 0.0065 0.0717
Echinococcus granulosus kinesin family 1 0.0247 0.0901 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7200 nM Inhibition of human KSP motor domain by ATPase assay ChEMBL. 17725339
IC50 (binding) = 7200 nM Inhibition of human KSP motor domain by ATPase assay ChEMBL. 17725339
IC50 (functional) > 20000 nM Antiproliferative activity against human SKOV3 cells after 72 hrs ChEMBL. 17725339
IC50 (functional) > 20000 nM Antiproliferative activity against human SKOV3 cells after 72 hrs ChEMBL. 17725339

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.