Detailed information for compound 1093796

Basic information

Technical information
  • TDR Targets ID: 1093796
  • Name: [7-(trifluoromethyl)-9H-carbazol-3-yl]urea
  • MW: 293.244 | Formula: C14H10F3N3O
  • H donors: 3 H acceptors: 1 LogP: 2.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Nc1ccc2c(c1)c1ccc(cc1[nH]2)C(F)(F)F
  • InChi: 1S/C14H10F3N3O/c15-14(16,17)7-1-3-9-10-6-8(19-13(18)21)2-4-11(10)20-12(9)5-7/h1-6,20H,(H3,18,19,21)
  • InChiKey: HBPRRKVUKLLMDA-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
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
Echinococcus multilocularis kinesin family 1 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
Schistosoma japonicum ko:K10398 kinesin family member 11, 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
Plasmodium yoelii Kinesin motor domain, putative 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 falciparum kinesin-5 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
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
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
Entamoeba histolytica kinesin, putative 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
Schistosoma mansoni tar DNA-binding protein 0.0064 0.2175 0.1896
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0089 0.0292
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.3035 0.3019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.2061 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0439 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.1637 0.7384
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1637 0.5
Brugia malayi intermediate filament protein 0.0029 0.0665 0.1958
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.2175 0.7167
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.1637 0.1618
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0665 0.2193
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.1637 0.7384
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.2061 0.1753
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.1637 1
Brugia malayi TAR-binding protein 0.0064 0.2175 0.7081
Onchocerca volvulus 0.0085 0.3035 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.2175 0.7167
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.1637 0.7384
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.2061 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.2175 0.2157
Trypanosoma brucei protein kinase, putative 0.0052 0.1637 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3035 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.2175 0.1896
Echinococcus granulosus lamin dm0 0.0029 0.0665 0.0644
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.0797 0.2208
Schistosoma mansoni hypothetical protein 0.0183 0.7229 0.8245
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.3035 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.1637 0.5
Schistosoma mansoni hypothetical protein 0.0215 0.8626 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1637 0.5
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0439 0.5
Echinococcus granulosus geminin 0.0183 0.7229 0.7223
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.2175 0.7081
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.2061 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.2061 1
Entamoeba histolytica kinesin, putative 0.0032 0.0797 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0665 0.2193
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.1637 0.1618
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0797 0.2405
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.1637 1
Echinococcus multilocularis geminin 0.0183 0.7229 0.7223
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.1637 0.5
Echinococcus granulosus intermediate filament protein 0.0029 0.0665 0.0644
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.1637 0.1618
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0665 0.1958
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.1637 0.5393
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.2061 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0797 0.2627
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.2061 0.2043
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.3035 0.3019
Loa Loa (eye worm) hypothetical protein 0.0014 0.0023 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0064 0.2175 0.1896
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.2061 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.2061 0.1753
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0439 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0665 0.2193
Plasmodium vivax kinesin-5 0.0032 0.0797 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1637 0.5
Schistosoma mansoni kinesin eg-5 0.0032 0.0797 0.0165
Echinococcus multilocularis musashi 0.0029 0.0665 0.0644
Echinococcus multilocularis lamin 0.0029 0.0665 0.0644
Schistosoma mansoni tar DNA-binding protein 0.0064 0.2175 0.1896
Schistosoma mansoni hypothetical protein 0.0183 0.7229 0.8245
Echinococcus multilocularis tar DNA binding protein 0.0064 0.2175 0.2157
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.2061 0.2043
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1637 0.5
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0439 0.5
Brugia malayi RNA binding protein 0.0064 0.2175 0.7081
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.1637 0.1618
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.1637 0.122
Echinococcus granulosus lamin 0.0029 0.0665 0.0644
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1637 0.5
Echinococcus multilocularis kinesin family 1 0.0247 1 1
Plasmodium falciparum kinesin-5 0.0032 0.0797 1
Brugia malayi MAP kinase sur-1 0.0052 0.1637 0.5254
Schistosoma mansoni tar DNA-binding protein 0.0064 0.2175 0.1896
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1637 0.5
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.3035 0.2977
Loa Loa (eye worm) hypothetical protein 0.0029 0.0643 0.2118
Loa Loa (eye worm) RNA binding protein 0.0064 0.2175 0.7167
Echinococcus multilocularis lamin dm0 0.0029 0.0665 0.0644

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 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) = 0.12 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) = 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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