TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.438 | Formula: C19H13F2NO3S2
H donors: 1 H acceptors: 3 LogP: 4.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)[C@@H](N1C(=S)S/C(=C\c2ccc(c(c2)F)F)/C1=O)Cc1ccccc1
InChi: 1S/C19H13F2NO3S2/c20-13-7-6-12(8-14(13)21)10-16-17(23)22(19(26)27-16)15(18(24)25)9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,24,25)/b16-10-/t15-/m0/s1
InChiKey: BUHHENSURBKQGD-HEUOVEHFSA-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)	tubulin beta-4 chain	0.0014	0.1033	0.1033
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.2586	0.2586
Plasmodium falciparum	glutathione reductase	0.0067	1	1
Toxoplasma gondii	thioredoxin reductase	0.0067	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0014	0.1033	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0.1033	0.3993
Trypanosoma brucei	epsilon tubulin	0.0014	0.1033	0.1033
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0.1033	0.3993
Toxoplasma gondii	NADPH-glutathione reductase	0.0023	0.2586	0.1732
Plasmodium vivax	thioredoxin reductase, putative	0.0067	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0014	0.1033	0.1033
Trypanosoma brucei	epsilon tubulin	0.0014	0.1033	0.1033
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0023	0.2586	0.1732
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0023	0.2586	0.2586
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0014	0.1033	0.3993
Trypanosoma brucei	alpha tubulin	0.0014	0.1033	0.1033
Brugia malayi	Tubulin alpha chain	0.0014	0.1033	0.1033
Plasmodium vivax	glutathione reductase, putative	0.0067	1	1
Trypanosoma brucei	beta tubulin	0.0014	0.1033	0.1033
Entamoeba histolytica	tubulin gamma chain	0.0014	0.1033	0.5
Onchocerca volvulus		0.0008	0	0.5
Entamoeba histolytica	tubulin family protein	0.0014	0.1033	0.5
Trichomonas vaginalis	glutathione reductase, putative	0.0023	0.2586	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0023	0.2586	0.1732
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Loa Loa (eye worm)	BEN-1 protein	0.0014	0.1033	0.1033
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0023	0.2586	0.5
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.2586	0.5
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0017	0.1542	0.1542
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0023	0.2586	0.5
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0023	0.2586	0.1732
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0.1033	0.3993
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.2586	0.1732
Loa Loa (eye worm)	alpha-tubulin	0.0014	0.1033	0.1033
Loa Loa (eye worm)	tubulin gamma chain	0.0014	0.1033	0.1033
Trypanosoma brucei	alpha tubulin	0.0014	0.1033	0.1033
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0014	0.1033	0.1033
Loa Loa (eye worm)	thioredoxin reductase	0.0067	1	1
Entamoeba histolytica	tubulin family protein	0.0014	0.1033	0.5
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0023	0.2586	0.1732
Brugia malayi	Tubulin gamma chain	0.0014	0.1033	0.1033
Trypanosoma brucei	alpha tubulin	0.0014	0.1033	0.1033
Brugia malayi	Tubulin alpha-2 chain	0.0014	0.1033	0.1033
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0023	0.2586	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0.1033	0.3993
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0023	0.2586	0.1732
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0023	0.2586	0.1732
Loa Loa (eye worm)	beta-tubulin	0.0014	0.1033	0.1033
Plasmodium falciparum	thioredoxin reductase	0.0067	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0023	0.2586	0.5
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.2586	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Plasmodium falciparum	glutathione reductase	0.0023	0.2586	0.1732
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0023	0.2586	0.1732
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Trypanosoma brucei	beta tubulin	0.0014	0.1033	0.1033
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0017	0.1542	0.1542
Entamoeba histolytica	tubulin alpha chain, putative	0.0014	0.1033	0.5
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0023	0.2586	0.1732
Trichomonas vaginalis	tubulin alpha chain, putative	0.0014	0.1033	0.3993
Trichomonas vaginalis	tubulin alpha chain, putative	0.0014	0.1033	0.3993
Trypanosoma brucei	trypanothione reductase	0.0067	1	1
Brugia malayi	alpha-tubulin	0.0014	0.1033	0.1033
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0023	0.2586	0.2586
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0.1033	0.3993
Brugia malayi	Tubulin beta-1 chain	0.0014	0.1033	0.1033
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0.1033	0.3993
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0023	0.2586	0.2586
Loa Loa (eye worm)	tubulin alpha chain	0.0014	0.1033	0.1033
Brugia malayi	Tubulin alpha-2 chain	0.0014	0.1033	0.1033
Loa Loa (eye worm)	tubulin alpha chain	0.0014	0.1033	0.1033
Trichomonas vaginalis	tubulin gamma chain, putative	0.0014	0.1033	0.3993
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0.1033	0.3993
Loa Loa (eye worm)	glutathione reductase	0.0067	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0014	0.1033	0.1033
Plasmodium falciparum	thioredoxin reductase	0.0023	0.2586	0.1732
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0067	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Trypanosoma brucei	beta tubulin	0.0014	0.1033	0.1033
Trypanosoma brucei	epsilon tubulin	0.0014	0.1033	0.1033
Trypanosoma brucei	beta tubulin	0.0014	0.1033	0.1033
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0023	0.2586	0.1732
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.2586	0.1732
Trypanosoma brucei	alpha tubulin	0.0014	0.1033	0.1033
Loa Loa (eye worm)	tubulin beta-2A chain	0.0014	0.1033	0.1033
Trypanosoma brucei	beta tubulin	0.0014	0.1033	0.1033
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0.1033	0.3993
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0023	0.2586	0.1732
Trichomonas vaginalis	tubulin gamma chain, putative	0.0014	0.1033	0.3993
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1033	0.1033
Trypanosoma cruzi	trypanothione reductase, putative	0.0067	1	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0023	0.2586	0.5
Brugia malayi	Thioredoxin reductase	0.0067	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0.1033	0.3993
Trichomonas vaginalis	tubulin, putative	0.0014	0.1033	0.3993
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0.1033	0.3993
Loa Loa (eye worm)	BEN-1 protein	0.0014	0.1033	0.1033
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.2586	0.2586
Trichomonas vaginalis	mercuric reductase, putative	0.0023	0.2586	1
Treponema pallidum	NADH oxidase	0.0023	0.2586	0.5
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0023	0.2586	0.1732
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0067	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0014	0.1033	0.1033
Brugia malayi	beta-tubulin, identical	0.0014	0.1033	0.1033
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0.1033	0.3993
Trypanosoma brucei	tubulin gamma chain	0.0014	0.1033	0.1033
Leishmania major	trypanothione reductase	0.0067	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0014	0.1033	0.3993
Brugia malayi	tubulin alpha-2 chain	0.0014	0.1033	0.1033
Echinococcus granulosus	thioredoxin glutathione reductase	0.0067	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.2586	0.1732
Loa Loa (eye worm)	alpha-tubulin	0.0014	0.1033	0.1033
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0023	0.2586	1

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

ChEMBL: CHEMBL2387582

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1777555