TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 356.483 | Formula: C14H16N2O3S3
H donors: 2 H acceptors: 3 LogP: 3.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(C)C)Nc1ccc(cc1)Sc1ccc(s1)S(=O)(=O)N
InChi: 1S/C14H16N2O3S3/c1-9(2)14(17)16-10-3-5-11(6-4-10)20-12-7-8-13(21-12)22(15,18)19/h3-9H,1-2H3,(H,16,17)(H2,15,18,19)
InChiKey: ZOINOPVMBIRCJK-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
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0014	0.0023	0.001
Echinococcus granulosus	bloom syndrome protein	0.0028	0.0062	0.2774
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0019	0.0037	0.0002
Treponema pallidum	NADH oxidase	0.0019	0.0037	0.5
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0125	0.0337	0.8837
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.0139	0.2985
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Trypanosoma cruzi	trypanothione reductase, putative	0.0019	0.0037	0.0043
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0019	0.0037	0.0043
Echinococcus multilocularis	bloom syndrome protein	0.0028	0.0062	0.2774
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0125	0.0337	0.8837
Loa Loa (eye worm)	RecQ helicase	0.0028	0.0062	0.1271
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.0183	0.4283
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0019	0.0037	0.0079
Schistosoma mansoni	DNA helicase recq5	0.0011	0.0016	0.0333
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0036	0.0133
Trichomonas vaginalis	mercuric reductase, putative	0.0019	0.0037	0.3185
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.0183	0.0584
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.0139	0.3369
Toxoplasma gondii	RNA-directed DNA polymerase	0.0964	0.2719	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.0037	0.0043
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0125	0.0337	0.8837
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0019	0.0037	0.0079
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0183	0.0672
Brugia malayi	glutathione reductase	0.0055	0.0139	0.0169
Plasmodium falciparum	thioredoxin reductase	0.0019	0.0037	0.0079
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.0037	0.0043
Toxoplasma gondii	NADPH-glutathione reductase	0.0019	0.0037	0.0137
Brugia malayi	Telomerase reverse transcriptase	0.2564	0.7264	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0964	0.2719	1
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0183	0.382
Trypanosoma brucei	telomerase reverse transcriptase	0.0964	0.2719	1
Giardia lamblia	Telomerase catalytic subunit	0.0964	0.2719	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0964	0.2719	1
Plasmodium falciparum	telomerase reverse transcriptase	0.0964	0.2719	1
Leishmania major	telomerase reverse transcriptase, putative	0.0964	0.2719	1
Plasmodium falciparum	glutathione reductase	0.0055	0.0139	0.0454
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0016	0.0059
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0183	1
Loa Loa (eye worm)	glutathione reductase	0.0055	0.0139	0.3369
Trichomonas vaginalis	glutathione reductase, putative	0.0019	0.0037	0.3185
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0125	0.0337	0.8837
Loa Loa (eye worm)	hypothetical protein	0.014	0.038	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0037	0.0029
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0139	0.0377	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0183	1
Trypanosoma brucei	trypanothione reductase	0.0055	0.0139	0.042
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0024	0.0053	0.0136
Trichomonas vaginalis	DNA helicase recq1, putative	0.0028	0.0062	1
Mycobacterium tuberculosis	Probable reductase	0.0125	0.0337	0.8837
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0183	0.382
Mycobacterium tuberculosis	Probable dehydrogenase	0.0125	0.0337	0.8837
Plasmodium falciparum	glutathione reductase	0.0019	0.0037	0.0079
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0014	0.0023	0.001
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0019	0.0037	0.0778
Toxoplasma gondii	thioredoxin reductase	0.0055	0.0139	0.051
Brugia malayi	Thioredoxin reductase	0.0055	0.0139	0.0169
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.0139	0.042
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0037	0.5
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0139	0.0377	1
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.0139	0.038
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0964	0.2719	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0019	0.0037	0.0137
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0019	0.0037	0.0002
Brugia malayi	Bloom's syndrome protein homolog	0.0028	0.0062	0.0064
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.0037	0.1275
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.0139	0.7356
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0016	0.0059
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.0037	0.1275
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.0037	0.0043
Trichomonas vaginalis	DNA helicase recq, putative	0.0028	0.0062	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0183	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.0037	0.0043
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0183	1
Plasmodium vivax	glutathione reductase, putative	0.0055	0.0139	0.038
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0019	0.0037	0.0043
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0037	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0139	0.0377	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0183	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0019	0.0037	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0019	0.0037	0.0043
Plasmodium falciparum	thioredoxin reductase	0.0055	0.0139	0.0454
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.0037	0.0043
Schistosoma mansoni	DNA helicase recq1	0.0011	0.0016	0.0333
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.0139	0.7356
Schistosoma mansoni	blooms syndrome DNA helicase	0.0022	0.0046	0.0954
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0139	0.0377	1
Leishmania major	trypanothione reductase	0.0055	0.0139	0.042
Entamoeba histolytica	recQ family helicase, putative	0.0015	0.0026	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0019	0.0037	0.0079
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0019	0.0037	0.0043

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	0 mg kg-1	Effective dose of perorally administered compound that gives protection against max electroshock in mice; inactive	ChEMBL.	6799646

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

No external resources registered for this compound

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 305690