TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 319.445 | Formula: C15H17N3OS2
H donors: 1 H acceptors: 2 LogP: 2.57 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CSc1cccc(c1)C(=O)Nc1nc2c(s1)CN(CC2)C
InChi: 1S/C15H17N3OS2/c1-18-7-6-12-13(9-18)21-15(16-12)17-14(19)10-4-3-5-11(8-10)20-2/h3-5,8H,6-7,9H2,1-2H3,(H,16,17,19)
InChiKey: KIODCNDCAQWVRO-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
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1002	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0355	1	1
Toxoplasma gondii	microneme protein, putative	0.0033	0.0064	0.0337
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0064	0.0064
Loa Loa (eye worm)	DOMON domain-containing protein	0.0343	0.963	0.963
Toxoplasma gondii	microneme protein MIC17C	0.0033	0.0064	0.0337
Toxoplasma gondii	PAN domain-containing protein	0.0033	0.0064	0.0337
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0064	0.1002	0.2688
Loa Loa (eye worm)	hypothetical protein	0.0343	0.963	0.963
Onchocerca volvulus		0.0343	0.963	0.963
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1002	0.1002
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Toxoplasma gondii	subtilisin SUB12	0.0033	0.0064	0.0337
Onchocerca volvulus		0.0093	0.1907	0.1907
Onchocerca volvulus		0.0064	0.1002	0.1002
Toxoplasma gondii	microneme protein MIC17B	0.0033	0.0064	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0064	0.0064
Toxoplasma gondii	PAN domain-containing protein	0.0033	0.0064	0.0337
Brugia malayi	Trypsin-like protease protein 5	0.0064	0.1002	0.1002
Echinococcus granulosus	tissue type plasminogen activator	0.0093	0.1907	0.5115
Toxoplasma gondii	PAN domain-containing protein	0.0033	0.0064	0.0337
Brugia malayi	Trypsin family protein	0.0064	0.1002	0.1002
Schistosoma mansoni	hypothetical protein	0.0093	0.1907	0.198
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Onchocerca volvulus		0.0033	0.0064	0.0064
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Leishmania major	hypothetical protein, conserved	0.0093	0.1907	1
Onchocerca volvulus		0.0343	0.963	0.963
Echinococcus granulosus	enteropeptidase	0.0064	0.1002	0.2688
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.094	0.4932
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Brugia malayi	Protein kinase domain containing protein	0.0093	0.1907	0.1907
Toxoplasma gondii	PAN domain-containing protein	0.0033	0.0064	0.0337
Loa Loa (eye worm)	trypsin family protein	0.0064	0.1002	0.1002
Onchocerca volvulus		0.0033	0.0064	0.0064
Echinococcus multilocularis	muscleblind protein 1	0.0152	0.3728	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.104
Schistosoma mansoni	hypothetical protein	0.0064	0.1002	0.104
Echinococcus multilocularis	enteropeptidase	0.0064	0.1002	0.2688
Plasmodium falciparum	cysteine repeat modular protein 1	0.0093	0.1907	0.5
Brugia malayi	Kringle domain containing protein	0.0093	0.1907	0.1907
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Onchocerca volvulus		0.0064	0.1002	0.1002
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0093	0.1907	0.5
Brugia malayi	Trypsin family protein	0.0064	0.1002	0.1002
Toxoplasma gondii	hypothetical protein	0.0033	0.0064	0.0337
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0064	0.1002	0.2688
Onchocerca volvulus		0.0033	0.0064	0.0064
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Onchocerca volvulus		0.0033	0.0064	0.0064
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0064	0.1002	0.104
Schistosoma mansoni	hypothetical protein	0.0343	0.963	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0093	0.1907	0.1907
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.094	0.2522
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.2688
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Brugia malayi	Trypsin family protein	0.0064	0.1002	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1002	0.1002
Toxoplasma gondii	kringle domain-containing protein	0.0093	0.1907	1
Onchocerca volvulus		0.0033	0.0064	0.0064
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.104
Toxoplasma gondii	microneme protein MIC4	0.0033	0.0064	0.0337
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.094	0.0976
Echinococcus multilocularis	Mastin	0.0064	0.1002	0.2688
Schistosoma mansoni	hypothetical protein	0.0064	0.1002	0.104
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Echinococcus granulosus	glycoprotein Antigen 5	0.0064	0.1002	0.2688
Brugia malayi	Muscleblind-like protein	0.0152	0.3728	0.3728
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1002	0.1002
Onchocerca volvulus		0.0355	1	1
Mycobacterium ulcerans	hypothetical protein	0.0064	0.1002	1
Toxoplasma gondii	microneme protein MIC17A	0.0033	0.0064	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1907	0.1907
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.104
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.104
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0064	0.0064
Onchocerca volvulus		0.0033	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0064	0.0064
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0064	0.1002	0.2688
Brugia malayi	SEA domain containing protein	0.0343	0.963	0.963
Echinococcus multilocularis	transmembrane protease serine 3	0.0064	0.1002	0.2688
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1002	0.1002
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.094	0.2522
Loa Loa (eye worm)	hypothetical protein	0.0152	0.3728	0.3728
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0064	0.0064
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Onchocerca volvulus		0.0064	0.1002	0.1002
Brugia malayi	hypothetical protein	0.0064	0.1002	0.1002
Toxoplasma gondii	hypothetical protein	0.0033	0.0064	0.0337
Onchocerca volvulus		0.0033	0.0064	0.0064
Echinococcus multilocularis	tissue type plasminogen activator	0.0093	0.1907	0.5115
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Echinococcus granulosus	transmembrane protease serine 3	0.0064	0.1002	0.2688
Echinococcus multilocularis	muscleblind protein	0.0152	0.3728	1
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0033	0.0064	0.0337
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0033	0.0064	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0064	0.0064
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0064	0.0064
Toxoplasma gondii	PAN domain-containing protein	0.0033	0.0064	0.0337
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0064	0.0064
Onchocerca volvulus		0.0033	0.0064	0.0064
Onchocerca volvulus		0.0064	0.1002	0.1002
Onchocerca volvulus		0.0064	0.1002	0.1002
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Onchocerca volvulus		0.0033	0.0064	0.0064
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1002	0.1002
Onchocerca volvulus		0.0343	0.963	0.963
Toxoplasma gondii	PAN domain-containing protein	0.0033	0.0064	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1002	0.1002
Schistosoma mansoni	cercarial elastase (S01 family)	0.0064	0.1002	0.104
Echinococcus granulosus	Mastin	0.0064	0.1002	0.2688
Echinococcus granulosus	muscleblind protein	0.0152	0.3728	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.104
Onchocerca volvulus		0.0343	0.963	0.963
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0064	0.0064
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.094	0.0976
Onchocerca volvulus		0.0033	0.0064	0.0064
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.104
Loa Loa (eye worm)	hypothetical protein	0.0152	0.3728	0.3728
Echinococcus multilocularis	glycoprotein Antigen 5	0.0064	0.1002	0.2688
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0064	0.1002	0.104
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0064	0.1002	0.1002
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Onchocerca volvulus		0.0064	0.1002	0.1002
Onchocerca volvulus		0.0033	0.0064	0.0064
Brugia malayi	PAN domain containing protein	0.0033	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0064	0.0064
Brugia malayi	Trypsin family protein	0.0064	0.1002	0.1002
Trypanosoma cruzi	hypothetical protein, conserved	0.0093	0.1907	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 693166