TDR Targets

Basic information

Technical information

TDR Targets ID: 847244
Name: 4-(4-methoxyphenoxy)butane-1-thiol
MW: 212.309 | Formula: C11H16O2S
H donors: 0 H acceptors: 0 LogP: 2.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: SCCCCOc1ccc(cc1)OC
InChi: 1S/C11H16O2S/c1-12-10-4-6-11(7-5-10)13-8-2-3-9-14/h4-7,14H,2-3,8-9H2,1H3
InChiKey: UTVHZOWJTUZIIS-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

CBMicro_019895
BIM-0019853.P001

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	0.0029	0.0694	0.1976
Toxoplasma gondii	NADPH-glutathione reductase	0.0029	0.0694	0.2454
Trichomonas vaginalis	chromobox protein, putative	0.007	0.2236	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0694	0.1675
Brugia malayi	Heterochromatin protein 1	0.007	0.2236	0.5396
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0169	0.034
Echinococcus granulosus	chromobox protein 1	0.007	0.2236	0.4506
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0694	0.1976
Mycobacterium tuberculosis	Probable dehydrogenase	0.0194	0.7014	0.8917
Trypanosoma cruzi	trypanothione reductase, putative	0.0029	0.0694	0.1976
Toxoplasma gondii	thioredoxin reductase	0.0085	0.2829	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0169	0.034
Brugia malayi	chromobox protein homolog 3	0.0039	0.1061	0.2561
Plasmodium vivax	glutathione reductase, putative	0.0085	0.2829	1
Brugia malayi	CHE-14 protein	0.0042	0.1184	0.2857
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0694	0.1976
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0194	0.7014	0.8917
Echinococcus multilocularis	chromobox protein 1	0.007	0.2236	0.4506
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0169	0.0407
Brugia malayi	Thioredoxin reductase	0.0085	0.2829	0.6826
Schistosoma mansoni	hypothetical protein	0.0041	0.1126	0.1126
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0029	0.0694	0.2454
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0029	0.0694	0.2454
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.3341	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0029	0.0694	0.2454
Schistosoma mansoni	patched 1	0.0042	0.1184	0.1184
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0029	0.0694	0.1399
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.34	0.34
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0022	0.0394	0.095
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0085	0.2829	0.3465
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0169	0.0596
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0694	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0085	0.2829	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0141	0.4963	1
Schistosoma mansoni	hypothetical protein	0.0041	0.1126	0.1126
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.1175	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1549	0.3737
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1061	0.4746
Echinococcus multilocularis	chromobox protein 1	0.007	0.2236	0.4506
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0216	0.7846	1
Trichomonas vaginalis	glutathione reductase, putative	0.0029	0.0694	0.3105
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0029	0.0694	0.5
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0194	0.7014	0.8917
Plasmodium falciparum	thioredoxin reductase	0.0085	0.2829	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0737	0.1779
Onchocerca volvulus		0.0031	0.0737	0.6276
Plasmodium falciparum	glutathione reductase	0.0085	0.2829	1
Echinococcus multilocularis	expressed conserved protein	0.0092	0.3112	0.6271
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0169	0.0596
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0029	0.0694	0.2454
Echinococcus multilocularis	protein dispatched 1	0.0048	0.1413	0.2847
Brugia malayi	MH2 domain containing protein	0.0119	0.4145	1
Schistosoma mansoni	chromobox protein	0.007	0.2236	0.2236
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0694	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0169	0.0407
Trichomonas vaginalis	chromobox protein, putative	0.007	0.2236	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0694	0.1976
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0169	0.034
Plasmodium vivax	thioredoxin reductase, putative	0.0085	0.2829	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0694	0.1976
Plasmodium falciparum	glutathione reductase	0.0029	0.0694	0.2454
Schistosoma mansoni	hypothetical protein	0.0041	0.1126	0.1126
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0694	0.1976
Echinococcus granulosus	thioredoxin glutathione reductase	0.0086	0.2849	0.574
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1184	0.2857
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0029	0.0694	0.2454
Schistosoma mansoni	hypothetical protein	0.0041	0.1126	0.1126
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.4145	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0194	0.7014	0.8917
Brugia malayi	glutathione reductase	0.0085	0.2829	0.6826
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0694	0.1976
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.1184	0.2857
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0694	0.1976
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0169	0.0169
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.1184	0.2386
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0169	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0098	0.3341	0.8061
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0029	0.0694	0.1976
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0169	0.0596
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0029	0.0694	0.1976
Mycobacterium tuberculosis	Probable oxidoreductase	0.0216	0.7846	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0169	0.0407
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0029	0.0694	0.1976
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0216	0.7846	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0169	0.034
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.1184	0.2386
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0216	0.7846	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.1184	0.2386
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0694	0.1399
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0694	0.1976
Echinococcus granulosus	expressed conserved protein	0.0092	0.3112	0.6271
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0694	0.1976
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0029	0.0694	0.0694
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.3341	0.8061
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0029	0.0694	0.0685
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1175	0.5254
Echinococcus multilocularis	Niemann Pick C1 protein	0.0141	0.4963	1
Treponema pallidum	NADH oxidase	0.0029	0.0694	0.5
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.2236	0.5396
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0086	0.2849	0.574
Loa Loa (eye worm)	glutathione reductase	0.0085	0.2829	0.6826
Leishmania major	trypanothione reductase	0.0085	0.2829	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0029	0.0694	0.1976
Plasmodium falciparum	thioredoxin reductase	0.0029	0.0694	0.2454
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1061	0.4746
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.1061	0.9031
Schistosoma mansoni	chromobox protein	0.007	0.2236	0.2236
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0169	0.034
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0194	0.7014	0.8917
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1061	0.2561
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.3341	0.6732
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0029	0.0694	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1184	0.5294
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.3341	0.6732
Trichomonas vaginalis	mercuric reductase, putative	0.0029	0.0694	0.3105
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0029	0.0694	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0624	0.2789
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0029	0.0694	0.5
Trypanosoma brucei	trypanothione reductase	0.0085	0.2829	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1175	0.5254
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0029	0.0694	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0085	0.2829	0.6826
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0694	0.1976
Mycobacterium tuberculosis	Probable reductase	0.0194	0.7014	0.8917
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0624	0.2789
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.4145	1
Echinococcus multilocularis	protein patched	0.0042	0.1184	0.2386
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0694	0.1976
Echinococcus granulosus	chromobox protein 1	0.007	0.2236	0.4506
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0169	0.034
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0022	0.0394	0.095

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 847244