TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.406 | Formula: C17H18FN3O4S
H donors: 0 H acceptors: 3 LogP: 1.19 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2c1ccc(c2)F
InChi: 1S/C17H18FN3O4S/c1-2-25-8-7-20-12-4-3-11(18)9-13(12)26-17(20)19-14(22)10-21-15(23)5-6-16(21)24/h3-4,9H,2,5-8,10H2,1H3/b19-17-
InChiKey: UFECYFVHVYCMCG-ZPHPHTNESA-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
Mycobacterium tuberculosis	Probable reductase	0.0732	0.7042	0.8958
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0082	0.0523	0.1098
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.003	0	0.5
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0049	0.0049
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0208	0.0436
Onchocerca volvulus		0.0243	0.2138	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0048	0.0048
Echinococcus multilocularis	smad	0.0034	0.0049	0.016
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.2138	1
Brugia malayi	glutathione reductase	0.0321	0.2921	0.6134
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0011	0.0011
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0111	0.0819	0.2803
Toxoplasma gondii	NADPH-glutathione reductase	0.0111	0.0819	0.2803
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0111	0.0819	0.2695
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0049	0.0102
Brugia malayi	RNA recognition motif domain containing protein	0.0333	0.3039	0.6381
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0049	0.0049
Loa Loa (eye worm)	TAR-binding protein	0.0333	0.3039	0.6381
Brugia malayi	Thioredoxin reductase	0.0321	0.2921	0.6134
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0732	0.7042	0.8958
Loa Loa (eye worm)	hypothetical protein	0.005	0.0208	0.0436
Plasmodium vivax	glutathione reductase, putative	0.0321	0.2921	1
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.003	0	0.5
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0111	0.0819	1
Loa Loa (eye worm)	thioredoxin reductase	0.0321	0.2921	0.6134
Echinococcus multilocularis	tar DNA binding protein	0.0333	0.3039	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0111	0.0819	0.2803
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0011	0.0011
Echinococcus granulosus	Smad4	0.0034	0.0049	0.016
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Loa Loa (eye worm)	RNA binding protein	0.0333	0.3039	0.6381
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0732	0.7042	0.8958
Mycobacterium tuberculosis	Probable oxidoreductase	0.0814	0.7861	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0111	0.0819	1
Trypanosoma brucei	trypanothione reductase	0.0321	0.2921	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Plasmodium vivax	SET domain protein, putative	0.0031	0.0011	0.0037
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.3039	0.3039
Plasmodium falciparum	glutathione reductase	0.0321	0.2921	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0111	0.0819	0.0819
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0111	0.0819	0.1719
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0049	0.0049
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.003	0	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0732	0.7042	0.8958
Toxoplasma gondii	thioredoxin reductase	0.0321	0.2921	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0111	0.0819	0.2803
Brugia malayi	Pre-SET motif family protein	0.0213	0.1842	0.3868
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0111	0.0819	0.2695
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0208	0.0436
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0111	0.0819	0.2803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Echinococcus granulosus	thioredoxin glutathione reductase	0.0325	0.2958	0.9733
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0049	0.016
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0011	0.0035
Loa Loa (eye worm)	glutathione reductase	0.0321	0.2921	0.6134
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0111	0.0819	0.2803
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0011	0.0011
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0111	0.0819	0.2803
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.003	0	0.5
Loa Loa (eye worm)	Smad1	0.0034	0.0049	0.0102
Trichomonas vaginalis	mercuric reductase, putative	0.0111	0.0819	0.3831
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0049	0.016
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.3039	0.3039
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0111	0.0819	1
Brugia malayi	MH1 domain containing protein	0.0034	0.0049	0.0102
Brugia malayi	MH2 domain containing protein	0.0505	0.4762	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0814	0.7861	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0011	0.0035
Brugia malayi	MH2 domain containing protein	0.0034	0.0049	0.0102
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0049	0.016
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0111	0.0819	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0011	0.0037
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0814	0.7861	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0011	0.0035
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0111	0.0819	0.2803
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0111	0.0819	0.2803
Brugia malayi	Pre-SET motif family protein	0.0031	0.0011	0.0023
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0333	0.3039	0.6381
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0732	0.7042	0.8958
Plasmodium vivax	thioredoxin reductase, putative	0.0321	0.2921	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0082	0.0523	0.1098
Echinococcus granulosus	tar DNA binding protein	0.0333	0.3039	1
Brugia malayi	MH1 domain containing protein	0.0034	0.0049	0.0102
Plasmodium falciparum	thioredoxin reductase	0.0111	0.0819	0.2803
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0011	0.0011
Trichomonas vaginalis	glutathione reductase, putative	0.0111	0.0819	0.3831
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0325	0.2958	0.9733
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.3039	0.3039
Loa Loa (eye worm)	MH2 domain-containing protein	0.0505	0.4762	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0049	0.016
Trypanosoma cruzi	trypanothione reductase, putative	0.0321	0.2921	1
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.3039	0.3039
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0111	0.0819	0.2803
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0208	0.0436
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0049	0.0049
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0814	0.7861	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0111	0.0819	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0049	0.0102
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0048	0.0101
Entamoeba histolytica	thioredoxin reductase, putative	0.003	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.3039	0.3039
Brugia malayi	RNA binding protein	0.0333	0.3039	0.6381
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0111	0.0819	0.2803
Plasmodium falciparum	glutathione reductase	0.0111	0.0819	0.2803
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.003	0	0.5
Schistosoma mansoni	smad	0.0034	0.0049	0.0049
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0111	0.0819	0.1042
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0111	0.0819	0.2803
Brugia malayi	MH2 domain containing protein	0.0034	0.0049	0.0102
Treponema pallidum	NADH oxidase	0.0111	0.0819	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0011	0.0023
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0321	0.2921	0.3716
Echinococcus granulosus	smad	0.0034	0.0049	0.016
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.0819	0.2803
Echinococcus multilocularis	Smad4	0.0034	0.0049	0.016
Trypanosoma cruzi	trypanothione reductase, putative	0.0111	0.0819	0.2803
Brugia malayi	TAR-binding protein	0.0333	0.3039	0.6381
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0732	0.7042	0.8958
Brugia malayi	Smad1	0.0034	0.0049	0.0102
Mycobacterium tuberculosis	Probable dehydrogenase	0.0732	0.7042	0.8958
Schistosoma mansoni	Smad4	0.0034	0.0049	0.0049
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.1842	0.3868
Onchocerca volvulus		0.0031	0.0011	0.005
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0111	0.0819	0.2803
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0111	0.0819	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0505	0.4762	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0111	0.0819	1
Plasmodium falciparum	thioredoxin reductase	0.0321	0.2921	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0111	0.0819	0.2803
Entamoeba histolytica	disulphide oxidoreductase, putative	0.003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0048	0.0101
Leishmania major	trypanothione reductase	0.0321	0.2921	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 621092