TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 482.041 | Formula: C25H28ClN5OS
H donors: 0 H acceptors: 3 LogP: 5 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1nnc(n1c1cccc(c1)Cl)SCc1ccncc1)CCC(c1ccc(o1)C)C
InChi: 1S/C25H28ClN5OS/c1-18(23-8-7-19(2)32-23)11-14-30(3)16-24-28-29-25(33-17-20-9-12-27-13-10-20)31(24)22-6-4-5-21(26)15-22/h4-10,12-13,15,18H,11,14,16-17H2,1-3H3
InChiKey: WQBKTQVOJIUFGA-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 brucei	alpha tubulin	0.0145	0.8235	1
Trypanosoma brucei	alpha tubulin	0.0145	0.8235	1
Brugia malayi	Tubulin alpha chain	0.0145	0.8235	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.2767	0.336
Echinococcus granulosus	beta tubulin	0.0078	0.2767	0.2718
Echinococcus granulosus	tubulin alpha	0.0078	0.2767	0.2718
Trypanosoma brucei	epsilon tubulin	0.0078	0.2767	0.336
Echinococcus granulosus	tubulin subunit beta	0.0078	0.2767	0.2718
Brugia malayi	Tubulin gamma chain	0.0078	0.2767	0.336
Trichomonas vaginalis	tubulin beta chain, putative	0.0145	0.8235	1
Echinococcus multilocularis	tubulin alpha	0.0078	0.2767	0.2718
Echinococcus multilocularis	beta tubulin	0.0078	0.2767	0.2718
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0145	0.8235	1
Echinococcus multilocularis	tubulin subunit TubB	0.0145	0.8235	0.8223
Loa Loa (eye worm)	hypothetical protein	0.0111	0.5468	0.6612
Loa Loa (eye worm)	tubulin alpha chain	0.0145	0.8235	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0145	0.8235	0.8223
Trypanosoma brucei	epsilon tubulin	0.0078	0.2767	0.336
Trypanosoma brucei	beta tubulin	0.0078	0.2767	0.336
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Trichomonas vaginalis	tubulin, putative	0.0078	0.2767	0.336
Brugia malayi	beta-tubulin, identical	0.0078	0.2767	0.336
Leishmania major	alpha tubulin	0.0145	0.8235	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0078	0.2767	0.3306
Echinococcus granulosus	tubulin beta 1 chain	0.0078	0.2767	0.2718
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Schistosoma mansoni	tubulin subunit alpha	0.0145	0.8235	0.8223
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Schistosoma mansoni	tubulin subunit beta	0.0078	0.2767	0.2718
Schistosoma mansoni	tubulin subunit beta	0.0078	0.2767	0.2718
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	0.2767	0.336
Entamoeba histolytica	tubulin alpha chain, putative	0.0145	0.8235	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0145	0.8235	1
Giardia lamblia	Alpha-tubulin	0.0145	0.8235	1
Loa Loa (eye worm)	tubulin beta chain	0.0078	0.2767	0.3306
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0397	0.0404
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Echinococcus granulosus	tubulin beta 4A class IVa	0.0078	0.2767	0.2718
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0111	0.5468	0.6612
Toxoplasma gondii	alpha-tubulin I, putative	0.0145	0.8235	1
Brugia malayi	alpha-tubulin	0.0145	0.8235	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0145	0.8235	0.8223
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Leishmania major	alpha tubulin	0.0145	0.8235	1
Leishmania major	alpha tubulin	0.0145	0.8235	1
Loa Loa (eye worm)	tubulin gamma chain	0.0078	0.2767	0.3306
Schistosoma mansoni	tubulin subunit alpha	0.0145	0.8235	0.8223
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0397	0.0482
Loa Loa (eye worm)	BEN-1 protein	0.0078	0.2767	0.3306
Plasmodium vivax	tubulin alpha chain, putative	0.0145	0.8235	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0145	0.8235	1
Loa Loa (eye worm)	tubulin alpha chain	0.0145	0.8235	1
Trypanosoma brucei	epsilon tubulin	0.0078	0.2767	0.336
Echinococcus granulosus	tubulin alpha 3 chain	0.0145	0.8235	0.8223
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0145	0.8235	1
Leishmania major	alpha tubulin	0.0145	0.8235	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Echinococcus multilocularis	tubulin alpha 3 chain	0.0145	0.8235	0.8223
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Echinococcus multilocularis	geminin	0.0166	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0101	0.4629	0.5621
Schistosoma mansoni	tubulin subunit beta	0.0078	0.2767	0.2718
Echinococcus multilocularis	tubulin alpha chain	0.0145	0.8235	0.8223
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0067	0.0081
Loa Loa (eye worm)	alpha-tubulin	0.0145	0.8235	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0145	0.8235	0.8223
Echinococcus granulosus	tubulin alpha chain	0.0145	0.8235	0.8223
Loa Loa (eye worm)	tubulin beta-4 chain	0.0078	0.2767	0.3306
Echinococcus granulosus	beta tubulin	0.0078	0.2767	0.2718
Echinococcus multilocularis	tubulin gamma 1 chain	0.0078	0.2767	0.2718
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Brugia malayi	Tubulin beta-1 chain	0.0078	0.2767	0.336
Trypanosoma brucei	alpha tubulin	0.0145	0.8235	1
Echinococcus multilocularis	tubulin alpha chain	0.0145	0.8235	0.8223
Brugia malayi	tubulin alpha-2 chain	0.0145	0.8235	1
Brugia malayi	tubulin alpha chain - mouse	0.0145	0.8235	1
Trypanosoma cruzi	alpha tubulin, putative	0.0145	0.8235	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0145	0.8235	0.8223
Loa Loa (eye worm)	hypothetical protein	0.0145	0.8235	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0145	0.8235	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0145	0.8235	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0145	0.8235	0.8223
Echinococcus granulosus	tubulin subunit TubB	0.0145	0.8235	0.8223
Echinococcus multilocularis	beta tubulin	0.0078	0.2767	0.2718
Loa Loa (eye worm)	tubulin alpha 2	0.0067	0.1862	0.2198
Schistosoma mansoni	tubulin subunit beta	0.0078	0.2767	0.2718
Trichomonas vaginalis	tubulin alpha chain, putative	0.0078	0.2767	0.336
Leishmania major	alpha tubulin	0.0145	0.8235	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0101	0.4629	0.5585
Loa Loa (eye worm)	alpha-tubulin	0.0145	0.8235	1
Trypanosoma brucei	tubulin gamma chain	0.0078	0.2767	0.336
Schistosoma mansoni	tubulin subunit beta	0.0078	0.2767	0.2718
Schistosoma mansoni	tubulin subunit gamma	0.0078	0.2767	0.2718
Entamoeba histolytica	tubulin alpha-1 chain	0.0145	0.8235	1
Echinococcus granulosus	alpha tubulin	0.0145	0.8235	0.8223
Plasmodium falciparum	alpha tubulin 2	0.0145	0.8235	1
Echinococcus granulosus	tubulin alpha chain	0.0145	0.8235	0.8223
Loa Loa (eye worm)	tubulin alpha 2	0.0111	0.5468	0.6612
Schistosoma mansoni	tubulin subunit epsilon	0.0078	0.2767	0.2718
Trichomonas vaginalis	tubulin beta chain, putative	0.0145	0.8235	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0145	0.8235	0.8223
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Echinococcus multilocularis	tubulin alpha chain	0.0145	0.8235	0.8223
Plasmodium vivax	tubulin alpha chain, putative	0.0145	0.8235	1
Giardia lamblia	Alpha-tubulin	0.0145	0.8235	1
Leishmania major	alpha tubulin	0.0145	0.8235	1
Leishmania major	alpha tubulin	0.0145	0.8235	1
Echinococcus multilocularis	tubulin alpha chain	0.0145	0.8235	0.8223
Loa Loa (eye worm)	BEN-1 protein	0.0078	0.2767	0.3306
Echinococcus multilocularis	tubulin alpha 3 chain	0.0145	0.8235	0.8223
Echinococcus multilocularis	tubulin subunit beta	0.0078	0.2767	0.2718
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4629	0.5585
Echinococcus granulosus	tubulin alpha chain	0.0145	0.8235	0.8223
Trichomonas vaginalis	tubulin gamma chain, putative	0.0078	0.2767	0.336
Echinococcus multilocularis	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Echinococcus granulosus	Tubulin alpha 1 chain	0.0145	0.8235	0.8223
Brugia malayi	Tubulin alpha-2 chain	0.0145	0.8235	1
Trypanosoma brucei	alpha tubulin	0.0145	0.8235	1
Schistosoma mansoni	alpha tubulin	0.0145	0.8235	0.8223
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0397	0.0482
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0078	0.2767	0.2718
Echinococcus granulosus	tubulin gamma 1 chain	0.0078	0.2767	0.2718
Echinococcus granulosus	tubulin epsilon chain	0.0078	0.2767	0.2718
Schistosoma mansoni	tubulin subunit alpha	0.0145	0.8235	0.8223
Echinococcus multilocularis	tubulin epsilon chain	0.0078	0.2767	0.2718
Trypanosoma brucei	beta tubulin	0.0078	0.2767	0.336
Echinococcus multilocularis	tubulin beta 1 chain	0.0078	0.2767	0.2718
Loa Loa (eye worm)	tubulin alpha 2	0.0111	0.5468	0.6612
Echinococcus multilocularis	hypothetical protein	0.0145	0.8235	0.8223
Schistosoma mansoni	alpha tubulin	0.0145	0.8235	0.8223
Echinococcus multilocularis	tubulin alpha chain	0.0145	0.8235	0.8223
Schistosoma mansoni	tubulin subunit beta	0.0078	0.2767	0.2718
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	0.2767	0.336
Leishmania major	alpha tubulin	0.0145	0.8235	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0078	0.2767	0.336
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0145	0.8235	0.8223
Trichomonas vaginalis	tubulin gamma chain, putative	0.0078	0.2767	0.336
Leishmania major	alpha tubulin	0.0145	0.8235	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0111	0.5468	0.664
Loa Loa (eye worm)	tubulin beta-2A chain	0.0078	0.2767	0.3306
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0397	0.0404
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Plasmodium falciparum	alpha tubulin 1	0.0145	0.8235	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0145	0.8235	0.8223
Echinococcus granulosus	tubulin alpha chain	0.0145	0.8235	0.8223
Leishmania major	alpha tubulin	0.0145	0.8235	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0145	0.8235	1
Echinococcus granulosus	tubulin alpha chain	0.0145	0.8235	0.8223
Trichomonas vaginalis	tubulin beta chain, putative	0.0145	0.8235	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0145	0.8235	0.8223
Brugia malayi	Tubulin alpha-2 chain	0.0145	0.8235	1
Schistosoma mansoni	alpha tubulin	0.0145	0.8235	0.8223
Trichomonas vaginalis	tubulin alpha chain, putative	0.0078	0.2767	0.336
Trypanosoma brucei	beta tubulin	0.0078	0.2767	0.336
Echinococcus granulosus	Tubulin alpha 1 chain	0.0145	0.8235	0.8223
Echinococcus multilocularis	peroxisome assembly protein 26	0.0145	0.8235	0.8223
Trypanosoma brucei	beta tubulin	0.0078	0.2767	0.336
Loa Loa (eye worm)	beta-tubulin	0.0078	0.2767	0.3306
Trypanosoma brucei	beta tubulin	0.0078	0.2767	0.336
Leishmania major	alpha tubulin	0.0145	0.8235	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0078	0.2767	0.2718
Leishmania major	alpha tubulin	0.0145	0.8235	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0145	0.8235	0.8223
Trichomonas vaginalis	tubulin beta chain, putative	0.0145	0.8235	1
Onchocerca volvulus		0.0044	0	0.5

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 806624