TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.855 | Formula: C16H20ClF3N2O3S
H donors: 1 H acceptors: 2 LogP: 5.36 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C/C(=N\OCC1CCCCC1)/c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F
InChi: 1S/C16H20ClF3N2O3S/c1-11(21-25-10-12-5-3-2-4-6-12)14-9-13(17)7-8-15(14)22-26(23,24)16(18,19)20/h7-9,12,22H,2-6,10H2,1H3/b21-11+
InChiKey: HPKKFRCBUHQHCJ-SRZZPIQSSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0377	0.6434	0.437
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.6434	0.437
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.6434	0.437
Plasmodium falciparum	tubulin gamma chain	0.0307	0.4422	0.002
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2699	0.0847
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0224	0.2023	0.2014
Echinococcus granulosus	tubulin alpha chain	0.0377	0.6434	0.437
Echinococcus granulosus	Tubulin alpha 1 chain	0.0377	0.6434	0.437
Entamoeba histolytica	tubulin family protein	0.05	1	1
Giardia lamblia	Beta tubulin	0.05	1	1
Trypanosoma brucei	alpha tubulin	0.0377	0.6434	0.437
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Loa Loa (eye worm)	tubulin beta chain	0.05	1	1
Giardia lamblia	Beta tubulin	0.05	1	1
Leishmania major	zeta tubulin, putative	0.0398	0.7065	0.5167
Trypanosoma brucei	alpha tubulin	0.0377	0.6434	0.437
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.6434	0.643
Loa Loa (eye worm)	tubulin alpha 2	0.0248	0.2699	0.0847
Echinococcus granulosus	tubulin alpha chain	0.0377	0.6434	0.437
Echinococcus multilocularis	tubulin subunit beta	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Trypanosoma brucei	beta tubulin	0.05	1	1
Plasmodium falciparum	alpha tubulin 1	0.0377	0.6434	0.3619
Giardia lamblia	Alpha-tubulin	0.0377	0.6434	0.6434
Leishmania major	beta tubulin	0.05	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.05	1	1
Echinococcus granulosus	beta tubulin	0.05	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0248	0.2699	0.2691
Loa Loa (eye worm)	tubulin gamma chain	0.0307	0.4422	0.3008
Leishmania major	epsilon tubulin, putative	0.0307	0.4411	0.0798
Loa Loa (eye worm)	BEN-1 protein	0.05	1	1
Leishmania major	gamma-tubulin	0.0307	0.4422	0.0817
Trypanosoma cruzi	epsilon tubulin, putative	0.0307	0.4411	0.0798
Trypanosoma brucei	beta tubulin	0.05	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0377	0.6434	0.437
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.6434	0.437
Giardia lamblia	Gamma tubulin	0.0307	0.4422	0.4422
Loa Loa (eye worm)	tubulin beta-2A chain	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.05	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0307	0.4411	0.1177
Plasmodium vivax	tubulin gamma chain, putative	0.0307	0.4422	0.002
Schistosoma mansoni	tubulin subunit alpha	0.0377	0.6434	0.3619
Leishmania major	beta tubulin	0.05	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0377	0.6434	0.643
Echinococcus granulosus	tubulin beta 4A class IVa	0.05	1	1
Loa Loa (eye worm)	BEN-1 protein	0.05	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.05	1	1
Echinococcus granulosus	tubulin subunit TubB	0.0377	0.6434	0.437
Schistosoma mansoni	alpha tubulin	0.0377	0.6434	0.3619
Loa Loa (eye worm)	tubulin beta-1 chain	0.05	1	1
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Toxoplasma gondii	beta-tubulin, putative	0.05	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0377	0.6434	0.3607
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0377	0.6434	0.437
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	tubulin alpha chain	0.0377	0.6434	0.437
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0377	0.6434	0.437
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Echinococcus granulosus	beta tubulin	0.05	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.6434	0.643
Trypanosoma brucei	alpha tubulin	0.0377	0.6434	0.437
Echinococcus granulosus	tubulin gamma 1 chain	0.0307	0.4422	0.1194
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Brugia malayi	tubulin alpha-2 chain	0.0377	0.6434	0.3607
Trypanosoma cruzi	alpha tubulin, putative	0.0377	0.6434	0.4129
Brugia malayi	alpha-tubulin	0.0377	0.6434	0.3607
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Echinococcus multilocularis	beta tubulin	0.05	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.6434	0.437
Leishmania major	beta tubulin	0.05	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0281	0.3666	0.3659
Echinococcus granulosus	tubulin beta 1 chain	0.05	1	1
Trypanosoma cruzi	tubulin gamma chain	0.0307	0.4422	0.0817
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0377	0.6434	0.437
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Trypanosoma brucei	epsilon tubulin	0.0307	0.4411	0.1177
Trichomonas vaginalis	tubulin gamma chain, putative	0.05	1	1
Plasmodium falciparum	alpha tubulin 2	0.0377	0.6434	0.3619
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0281	0.3666	0.3666
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.6434	0.643
Leishmania major	beta tubulin	0.05	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0377	0.6434	0.553
Schistosoma mansoni	tubulin subunit alpha	0.0377	0.6434	0.3619
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Brugia malayi	Tubulin alpha chain	0.0377	0.6434	0.3607
Leishmania major	beta tubulin	0.05	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.05	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.05	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0307	0.4422	0.4416
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Schistosoma mansoni	alpha tubulin	0.0377	0.6434	0.3619
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Loa Loa (eye worm)	tubulin alpha chain	0.0377	0.6434	0.553
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Brugia malayi	beta-tubulin, identical	0.05	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0377	0.6434	0.437
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0248	0.2699	0.0847
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0377	0.6434	0.437
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0377	0.6434	0.3607
Echinococcus multilocularis	tubulin alpha 1C chain	0.0377	0.6434	0.437
Trypanosoma cruzi	beta tubulin, putative	0.05	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0307	0.4411	0.0798
Trypanosoma brucei	tubulin gamma chain	0.0307	0.4422	0.1194
Loa Loa (eye worm)	beta-tubulin	0.05	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.6434	0.643
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.6434	0.643
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.05	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Trypanosoma brucei	alpha tubulin	0.0377	0.6434	0.437
Echinococcus granulosus	tubulin alpha chain	0.0377	0.6434	0.437
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0377	0.6434	0.643
Leishmania major	beta tubulin	0.05	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.6434	0.437
Giardia lamblia	Alpha-tubulin	0.0377	0.6434	0.6434
Toxoplasma gondii	alpha tubulin TUBA1	0.0377	0.6434	0.6434
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Schistosoma mansoni	alpha tubulin	0.0377	0.6434	0.3619
Brugia malayi	tubulin alpha chain - mouse	0.0377	0.6434	0.3607
Echinococcus multilocularis	beta tubulin	0.05	1	1
Plasmodium falciparum	tubulin beta chain	0.05	1	1
Trypanosoma brucei	beta tubulin	0.05	1	1
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.05	1	1
Trypanosoma brucei	zeta tubulin	0.0398	0.7065	0.5366
Trypanosoma brucei	tubulin delta chain	0.029	0.3926	0.0411
Echinococcus multilocularis	tubulin gamma 1 chain	0.0307	0.4422	0.1194
Giardia lamblia	Beta tubulin	0.05	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Echinococcus granulosus	alpha tubulin	0.0377	0.6434	0.437
Leishmania major	beta tubulin	0.05	1	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0377	0.6434	0.6434
Entamoeba histolytica	tubulin family protein	0.05	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0377	0.6434	0.3619
Echinococcus granulosus	tubulin alpha chain	0.0377	0.6434	0.437
Plasmodium vivax	tubulin alpha chain, putative	0.0377	0.6434	0.3619
Plasmodium vivax	tubulin beta chain, putative	0.05	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0377	0.6434	0.553
Leishmania major	beta tubulin	0.05	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.029	0.3926	0.3926
Loa Loa (eye worm)	tubulin alpha 2	0.0248	0.2699	0.0847
Echinococcus granulosus	tubulin alpha 3 chain	0.0377	0.6434	0.437
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0398	0.7065	0.5167
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.6434	0.643
Echinococcus multilocularis	tubulin alpha 3 chain	0.0377	0.6434	0.437
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	tubulin subunit beta	0.05	1	1
Loa Loa (eye worm)	hypothetical protein	0.0377	0.6434	0.553
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0377	0.6434	0.643
Trypanosoma brucei	beta tubulin	0.05	1	1
Toxoplasma gondii	beta tubulin	0.05	1	1
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Trypanosoma brucei	zeta tubulin, putative	0.0398	0.7065	0.5366
Echinococcus granulosus	Tubulin alpha 1 chain	0.0377	0.6434	0.437
Trichomonas vaginalis	tubulin, putative	0.05	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0377	0.6434	0.3607
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Echinococcus multilocularis	hypothetical protein	0.0377	0.6434	0.437
Echinococcus multilocularis	peroxisome assembly protein 26	0.0377	0.6434	0.437
Entamoeba histolytica	tubulin alpha chain, putative	0.0377	0.6434	0.3607
Echinococcus granulosus	peroxisome assembly protein 26	0.0377	0.6434	0.437
Trichomonas vaginalis	tubulin gamma chain, putative	0.0307	0.4411	0.4405
Leishmania major	beta tubulin	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0377	0.6434	0.553
Schistosoma mansoni	tubulin subunit gamma	0.0307	0.4422	0.002
Plasmodium vivax	tubulin alpha chain, putative	0.0377	0.6434	0.3619
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0377	0.6434	0.553
Trypanosoma cruzi	zeta tubulin, putative	0.0398	0.7065	0.5167
Leishmania major	alpha tubulin	0.0377	0.6434	0.4129
Echinococcus granulosus	tubulin alpha 1C chain	0.0377	0.6434	0.437
Echinococcus multilocularis	tubulin subunit TubB	0.0377	0.6434	0.437
Trypanosoma brucei	epsilon tubulin	0.0307	0.4411	0.1177
Echinococcus granulosus	tubulin epsilon chain	0.0307	0.4411	0.1177
Echinococcus multilocularis	tubulin alpha 1C chain	0.0377	0.6434	0.437
Leishmania major	beta tubulin	0.05	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 96 %	Parasiticidal activity against Ctenocephalides felis assessed as mortality after 24 hrs by cat flea assay	ChEMBL.	18006308
Activity (functional)	= 100 %	Parasiticidal activity against Rhipicephalus sanguineus assessed as mortality after 24 hrs by brown dog tick assay	ChEMBL.	18006308

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

ChEMBL: CHEMBL403248

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.

Detailed information for compound 504760