TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.872 | Formula: C21H13ClN4OS
H donors: 0 H acceptors: 4 LogP: 4.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)C(=O)N(c1nc2c(s1)cc(cc2)Cl)Cc1cccnc1
InChi: 1S/C21H13ClN4OS/c22-17-7-8-18-19(10-17)28-21(25-18)26(13-15-2-1-9-24-12-15)20(27)16-5-3-14(11-23)4-6-16/h1-10,12H,13H2
InChiKey: ORUPMFKNOLEWLX-UHFFFAOYSA-N

Network

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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

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Clustering layers

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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
Trypanosoma cruzi	tubulin gamma chain	0.0078	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0078	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	1	1
Schistosoma mansoni	alpha tubulin	0.0078	1	1
Leishmania major	epsilon tubulin, putative	0.0078	1	1
Schistosoma mansoni	tubulin subunit epsilon	0.0078	1	1
Schistosoma mansoni	tubulin subunit beta	0.0078	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0078	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0078	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0034	0.3051	0.3051
Plasmodium falciparum	alpha tubulin 2	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Echinococcus multilocularis	tubulin alpha	0.0078	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0078	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0035	0.3267	0.3267
Giardia lamblia	Gamma tubulin	0.0078	1	1
Schistosoma mansoni	alpha tubulin	0.0078	1	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0078	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0078	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0034	0.3051	0.3051
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	1	1
Brugia malayi	Tubulin alpha chain	0.0078	1	1
Brugia malayi	Tubulin beta chain	0.0034	0.3051	0.3051
Echinococcus granulosus	beta tubulin	0.0078	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0035	0.3267	0.3267
Brugia malayi	alpha-tubulin	0.0078	1	1
Schistosoma mansoni	tubulin subunit beta	0.0078	1	1
Trypanosoma brucei	beta tubulin	0.0078	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	1	1
Schistosoma mansoni	tubulin subunit beta	0.0034	0.3051	0.3051
Schistosoma mansoni	tubulin subunit delta	0.0034	0.3051	0.3051
Trypanosoma brucei	epsilon tubulin	0.0078	1	1
Trypanosoma brucei	beta tubulin	0.0078	1	1
Schistosoma mansoni	tubulin subunit beta	0.0078	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	1	1
Leishmania major	delta tubulin, putative	0.0034	0.3051	0.3051
Schistosoma mansoni	alpha tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0078	1	1
Mycobacterium ulcerans	cell division protein FtsZ	0.0034	0.3051	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	1	1
Echinococcus granulosus	tubulin alpha chain	0.0078	1	1
Trypanosoma brucei	tubulin gamma chain	0.0078	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0078	1	1
Trypanosoma brucei	zeta tubulin, putative	0.0034	0.3051	0.3051
Schistosoma mansoni	tubulin subunit alpha	0.0078	1	1
Trypanosoma brucei	alpha tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Schistosoma mansoni	tubulin subunit beta	0.0078	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0044	0.4668	0.4668
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0035	0.3267	0.3267
Trichomonas vaginalis	tubulin gamma chain, putative	0.0078	1	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0078	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0078	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	1	1
Echinococcus granulosus	tubulin alpha chain	0.0078	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0078	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0078	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0078	1	1
Trichomonas vaginalis	tubulin, putative	0.0044	0.4668	0.4668
Toxoplasma gondii	beta-tubulin, putative	0.0078	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0078	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0078	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0044	0.4668	0.4668
Trypanosoma cruzi	tubulin delta chain	0.0034	0.3051	0.3051
Entamoeba histolytica	tubulin family protein	0.0078	1	1
Trichomonas vaginalis	tubulin, putative	0.0078	1	1
Trypanosoma brucei	beta tubulin	0.0078	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0078	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0078	1	1
Trypanosoma brucei	alpha tubulin	0.0078	1	1
Giardia lamblia	Alpha-tubulin	0.0078	1	1
Brugia malayi	beta-tubulin, identical	0.0078	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0078	1	1
Giardia lamblia	Beta tubulin	0.0078	1	1
Brugia malayi	Tubulin gamma chain	0.0078	1	1
Trypanosoma brucei	epsilon tubulin	0.0078	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0078	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0078	1	1
Leishmania major	gamma-tubulin	0.0078	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0078	1	1
Schistosoma mansoni	tubulin subunit beta	0.0078	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Plasmodium falciparum	tubulin beta chain	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0034	0.3051	0.3051
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0034	0.3051	0.3051
Echinococcus multilocularis	tubulin delta chain	0.0034	0.3051	0.3051
Leishmania major	beta tubulin	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	1	1
Plasmodium vivax	delta tubulin, putative	0.0034	0.3051	0.3051
Brugia malayi	Tubulin beta-1 chain	0.0078	1	1
Echinococcus granulosus	tubulin epsilon chain	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Trypanosoma brucei	beta tubulin	0.0078	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0044	0.4668	0.4668
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0078	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Trypanosoma brucei	alpha tubulin	0.0078	1	1
Giardia lamblia	Beta tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Plasmodium falciparum	tubulin delta chain, putative	0.0034	0.3051	0.3051
Echinococcus multilocularis	beta tubulin	0.0078	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	1	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0034	0.3051	0.3051
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	1	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0078	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0078	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0078	1	1
Echinococcus granulosus	tubulin alpha chain	0.0078	1	1
Trypanosoma brucei	tubulin delta chain	0.0034	0.3051	0.3051
Leishmania major	beta tubulin	0.0078	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.3267	0.3267
Loa Loa (eye worm)	beta-tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Echinococcus granulosus	tubulin subunit beta	0.0078	1	1
Toxoplasma gondii	beta tubulin	0.0078	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0035	0.3267	0.3267
Trichomonas vaginalis	tubulin alpha chain, putative	0.0078	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0078	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0078	1	1
Echinococcus granulosus	tubulin alpha chain	0.0078	1	1
Echinococcus multilocularis	hypothetical protein	0.0078	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.4668	0.4668
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	1	1
Echinococcus granulosus	tubulin delta chain	0.0034	0.3051	0.3051
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.3267	0.3267
Echinococcus granulosus	tubulin alpha	0.0078	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0078	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0078	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0078	1	1
Brugia malayi	Cell division protein ftsZ	0.0034	0.3051	0.3051
Trichomonas vaginalis	tubulin, putative	0.0044	0.4668	0.4668
Echinococcus multilocularis	tubulin gamma 1 chain	0.0078	1	1
Onchocerca volvulus		0.0044	0.4668	0.5
Leishmania major	alpha tubulin	0.0078	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0078	1	1
Trypanosoma brucei	beta tubulin	0.0078	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0078	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0078	1	1
Echinococcus granulosus	tubulin subunit TubB	0.0078	1	1
Echinococcus granulosus	beta tubulin	0.0078	1	1
Echinococcus granulosus	tubulin beta 1 chain	0.0078	1	1
Brugia malayi	Tubulin alpha chain	0.0034	0.3051	0.3051
Trichomonas vaginalis	tubulin alpha chain, putative	0.0044	0.4668	0.4668
Echinococcus granulosus	tubulin alpha chain	0.0078	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0044	0.4668	0.4668
Trypanosoma brucei	epsilon tubulin	0.0078	1	1
Giardia lamblia	Beta tubulin	0.0078	1	1
Entamoeba histolytica	tubulin family protein	0.0078	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0044	0.4668	0.4668
Giardia lamblia	Epsilon tubulin	0.0034	0.3051	0.3051
Schistosoma mansoni	tubulin subunit alpha	0.0034	0.3051	0.3051
Echinococcus granulosus	Tubulin alpha 1 chain	0.0078	1	1
Leishmania major	zeta tubulin, putative	0.0034	0.3051	0.3051
Echinococcus granulosus	alpha tubulin	0.0078	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0078	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0034	0.3051	0.3051
Brugia malayi	Tubulin alpha-2 chain	0.0078	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	1	1
Schistosoma mansoni	tubulin subunit gamma	0.0078	1	1
Plasmodium falciparum	tubulin gamma chain	0.0078	1	1
Entamoeba histolytica	tubulin gamma chain	0.0078	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	1	1
Schistosoma mansoni	tubulin subunit beta	0.0078	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0078	1	1
Brugia malayi	Tubulin beta chain	0.0044	0.4668	0.4668
Leishmania major	alpha tubulin	0.0078	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.3051	0.3051
Loa Loa (eye worm)	tubulin alpha chain	0.0078	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0044	0.4668	0.4668
Plasmodium falciparum	alpha tubulin 1	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0078	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0078	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0034	0.3051	0.3051
Echinococcus multilocularis	tubulin alpha 3 chain	0.0078	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0034	0.3051	0.3051
Treponema pallidum	cell division protein FtsZ	0.0034	0.3051	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0078	1	1
Trichomonas vaginalis	tubulin, putative	0.0034	0.3051	0.3051
Echinococcus multilocularis	tubulin subunit TubB	0.0078	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0078	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0078	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0078	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0078	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0035	0.3267	0.3267
Trypanosoma brucei	alpha tubulin	0.0078	1	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0078	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0078	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0044	0.4668	0.4668
Leishmania major	alpha tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0078	1	1
Echinococcus multilocularis	beta tubulin	0.0078	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0034	0.3051	0.3051
Trypanosoma brucei	alpha tubulin, putative	0.0044	0.4668	0.4668
Trypanosoma cruzi	epsilon tubulin, putative	0.0078	1	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0078	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0034	0.3051	0.3051
Echinococcus multilocularis	tubulin subunit beta	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.3051	0.3051
Trichomonas vaginalis	tubulin alpha chain, putative	0.0044	0.4668	0.4668
Echinococcus multilocularis	tubulin alpha chain	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0034	0.3051	1
Trypanosoma brucei	zeta tubulin	0.0034	0.3051	0.3051
Plasmodium vivax	tubulin gamma chain, putative	0.0078	1	1
Trypanosoma cruzi	tubulin delta chain	0.0034	0.3051	0.3051
Echinococcus granulosus	Tubulin alpha 1 chain	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0035	0.3267	0.3267
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0034	0.3051	1
Brugia malayi	tubulin alpha chain - mouse	0.0078	1	1
Mycobacterium leprae	cell division protein FtsZ	0.0034	0.3051	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	1	1
Giardia lamblia	Alpha-tubulin	0.0078	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0078	1	1
Leishmania major	beta tubulin	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	1	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0078	1	1
Leishmania major	alpha tubulin	0.0078	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.3051	0.3051
Trypanosoma cruzi	beta tubulin, putative	0.0078	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.3267	0.3267
Giardia lamblia	Delta tubulin	0.0034	0.3051	0.3051

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 705025