TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 329.374 | Formula: C16H15N3O3S
H donors: 1 H acceptors: 3 LogP: 1.74 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)NC(=O)CN1C(=O)CSc2c1cccn2
InChi: 1S/C16H15N3O3S/c1-22-12-5-2-4-11(8-12)18-14(20)9-19-13-6-3-7-17-16(13)23-10-15(19)21/h2-8H,9-10H2,1H3,(H,18,20)
InChiKey: MXWSSXRIJNBOHE-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
Onchocerca volvulus		0.0053	0.4198	1
Echinococcus multilocularis	notch	0.0017	0.023	0.0547
Brugia malayi	Animal haem peroxidase family protein	0.0053	0.4198	1
Brugia malayi	Peroxidasin	0.0053	0.4198	1
Entamoeba histolytica	tubulin family protein	0.0015	0	0.5
Leishmania major	beta tubulin	0.0015	0	0.5
Echinococcus multilocularis	neural cadherin	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.023	0.0547
Schistosoma mansoni	laminin gamma-3 chain	0.0017	0.023	0.023
Plasmodium vivax	tubulin beta chain, putative	0.0015	0	0.5
Leishmania major	alpha tubulin	0.0015	0	0.5
Giardia lamblia	High cysteine protein	0.0017	0.023	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	animal heme peroxidase	0.0053	0.4198	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.023	0.0547
Schistosoma mansoni	notch	0.0017	0.023	0.023
Trypanosoma brucei	RNA helicase, putative	0.0105	1	1
Trichomonas vaginalis	tubulin, putative	0.0015	0	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.023	0.023
Leishmania major	alpha tubulin	0.0015	0	0.5
Echinococcus granulosus	protein jagged 2	0.0017	0.023	0.0547
Brugia malayi	Animal haem peroxidase family protein	0.0053	0.4198	1
Schistosoma mansoni	hypothetical protein	0.0017	0.023	0.023
Brugia malayi	EGF-like domain containing protein	0.0017	0.023	0.0547
Plasmodium vivax	tubulin alpha chain, putative	0.0015	0	0.5
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.023	0.0547
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.023	0.0547
Schistosoma mansoni	peroxidasin	0.0053	0.4198	0.4198
Echinococcus granulosus	neural cadherin	0.0017	0.023	0.0547
Echinococcus multilocularis	fibropellin Ia	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Leishmania major	alpha tubulin	0.0015	0	0.5
Leishmania major	beta tubulin	0.0015	0	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.023	0.0547
Trichomonas vaginalis	tubulin alpha chain, putative	0.0015	0	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Plasmodium falciparum	tubulin epsilon chain, putative	0.0015	0	0.5
Echinococcus granulosus	protein jagged 1	0.0017	0.023	0.0547
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0	0.5
Trypanosoma cruzi	epsilon tubulin, putative	0.0015	0	0.5
Echinococcus granulosus	neurogenic locus notch protein 4	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Brugia malayi	Delta serrate ligand family protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Schistosoma mansoni	notch	0.0017	0.023	0.023
Loa Loa (eye worm)	notch protein	0.0017	0.023	0.0547
Brugia malayi	Cadherin domain containing protein	0.0017	0.023	0.0547
Onchocerca volvulus		0.0053	0.4198	1
Leishmania major	beta tubulin	0.0015	0	0.5
Schistosoma mansoni	septate junction protein	0.0017	0.023	0.023
Plasmodium falciparum	tubulin gamma chain	0.0015	0	0.5
Echinococcus granulosus	slit 2 protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Brugia malayi	hypothetical protein	0.0053	0.4198	1
Echinococcus granulosus	peroxidasin	0.0053	0.4198	1
Trypanosoma cruzi	alpha tubulin, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Leishmania major	alpha tubulin	0.0015	0	0.5
Leishmania major	beta tubulin	0.0015	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0	0.5
Leishmania major	gamma-tubulin	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Echinococcus granulosus	delta-like protein 1	0.0017	0.023	0.0547
Plasmodium vivax	tubulin alpha chain, putative	0.0015	0	0.5
Brugia malayi	notch-like transmembrane receptor	0.0017	0.023	0.0547
Echinococcus multilocularis	protein jagged 1	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Schistosoma mansoni	notch	0.0017	0.023	0.023
Entamoeba histolytica	tubulin alpha chain, putative	0.0015	0	0.5
Leishmania major	alpha tubulin	0.0015	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0	0.5
Echinococcus multilocularis	protein jagged 2	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.023	0.0547
Onchocerca volvulus	Peroxidasin homolog	0.0053	0.4198	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0015	0	0.5
Brugia malayi	EGF-like domain containing protein	0.0017	0.023	0.0547
Schistosoma mansoni	peroxidasin	0.0053	0.4198	0.4198
Leishmania major	alpha tubulin	0.0015	0	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0015	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0053	0.4198	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0015	0	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Schistosoma mansoni	slit	0.0017	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Schistosoma mansoni	hypothetical protein	0.0017	0.023	0.023
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.023	0.0547
Brugia malayi	EGF-like domain containing protein	0.0017	0.023	0.0547
Leishmania major	alpha tubulin	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Brugia malayi	Cadherin domain containing protein	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Echinococcus granulosus	protein jagged 1	0.0017	0.023	0.0547
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.023	0.023
Onchocerca volvulus	Dual oxidase homolog	0.0053	0.4198	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0015	0	0.5
Brugia malayi	GCC2 and GCC3 family protein	0.0017	0.023	0.0547
Brugia malayi	Animal haem peroxidase family protein	0.0053	0.4198	1
Leishmania major	alpha tubulin	0.0015	0	0.5
Echinococcus multilocularis	protein jagged 1	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Schistosoma mansoni	hypothetical protein	0.0017	0.023	0.023
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Brugia malayi	Blistered cuticle protein 3	0.0053	0.4198	1
Echinococcus multilocularis	peroxidasin	0.0053	0.4198	1
Leishmania major	beta tubulin	0.0015	0	0.5
Echinococcus granulosus	notch	0.0017	0.023	0.0547
Loa Loa (eye worm)	blistered cuticle protein 3	0.0053	0.4198	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.023	0.0547
Echinococcus multilocularis	slit 2 protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	animal heme peroxidase	0.0053	0.4198	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0	0.5
Leishmania major	alpha tubulin	0.0015	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	0	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.023	0.0547
Entamoeba histolytica	tubulin family protein	0.0015	0	0.5
Leishmania major	beta tubulin	0.0015	0	0.5
Leishmania major	alpha tubulin	0.0015	0	0.5
Onchocerca volvulus		0.0053	0.4198	1
Loa Loa (eye worm)	animal heme peroxidase	0.0053	0.4198	1
Schistosoma mansoni	cell polarity protein	0.0017	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Plasmodium falciparum	tubulin beta chain	0.0015	0	0.5
Plasmodium vivax	tubulin gamma chain, putative	0.0015	0	0.5
Onchocerca volvulus	Peroxidase homolog	0.0053	0.4198	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0015	0	0.5
Toxoplasma gondii	EGF family domain-containing protein	0.0017	0.023	1
Leishmania major	beta tubulin	0.0015	0	0.5
Echinococcus granulosus	neurogenic locus protein delta	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Plasmodium falciparum	alpha tubulin 2	0.0015	0	0.5
Echinococcus granulosus	fibropellin Ia	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Leishmania major	alpha tubulin	0.0015	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0	0.5
Leishmania major	beta tubulin	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Brugia malayi	Animal haem peroxidase family protein	0.0053	0.4198	1
Leishmania major	beta tubulin	0.0015	0	0.5
Entamoeba histolytica	tubulin alpha-1 chain	0.0015	0	0.5
Leishmania major	beta tubulin	0.0015	0	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0053	0.4198	1
Entamoeba histolytica	tubulin gamma chain	0.0015	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0	0.5
Trypanosoma cruzi	tubulin gamma chain	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Onchocerca volvulus	Chorion peroxidase homolog	0.0053	0.4198	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0017	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	0	0.5
Onchocerca volvulus	Peroxidase homolog	0.0053	0.4198	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Plasmodium falciparum	alpha tubulin 1	0.0015	0	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.023	0.0547
Schistosoma mansoni	notch	0.0017	0.023	0.023
Plasmodium vivax	tubulin epsilon chain, putative	0.0015	0	0.5
Leishmania major	alpha tubulin	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Leishmania major	epsilon tubulin, putative	0.0015	0	0.5
Schistosoma mansoni	notch	0.0017	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0017	0.023	0.0547
Echinococcus granulosus	protein jagged 2	0.0017	0.023	0.0547
Leishmania major	beta tubulin	0.0015	0	0.5
Loa Loa (eye worm)	Notch2	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Onchocerca volvulus	Peroxidasin homolog	0.0053	0.4198	1
Schistosoma mansoni	notch	0.0017	0.023	0.023
Brugia malayi	Muscle positioning protein 4	0.0017	0.023	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Trypanosoma cruzi	beta tubulin, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4198	1
Schistosoma mansoni	hypothetical protein	0.0017	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0017	0.023	0.0547
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0017	0.023	0.0547
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0017	0.023	0.0547
Trichomonas vaginalis	tubulin gamma chain, putative	0.0015	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 832001