TDR Targets

Basic information

Technical information

TDR Targets ID: 892597
Name: 3-[4-(difluoromethoxy)phenyl]-1-(2,2,6,6-tetr amethylpiperidin-4-yl)thiourea
MW: 357.462 | Formula: C17H25F2N3OS
H donors: 3 H acceptors: 0 LogP: 3.81 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: FC(Oc1ccc(cc1)NC(=S)NC1CC(C)(C)NC(C1)(C)C)F
InChi: 1S/C17H25F2N3OS/c1-16(2)9-12(10-17(3,4)22-16)21-15(24)20-11-5-7-13(8-6-11)23-14(18)19/h5-8,12,14,22H,9-10H2,1-4H3,(H2,20,21,24)
InChiKey: LFXOPEBBUBETAF-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

3-[4-(difluoromethoxy)phenyl]-1-(2,2,6,6-tetramethyl-4-piperidyl)thiourea
3-[4-(difluoromethoxy)phenyl]-1-(2,2,6,6-tetramethyl-4-piperidinyl)thiourea
1-(4-Difluoromethoxy-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-thiourea
A2832/0119641

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
Brugia malayi	Glutamate receptor 2 precursor	0.0764	0.1695	0.1695
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0044	0.0004	0.0182
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0078	0.0084	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Entamoeba histolytica	deoxyhypusine synthase, putative	0.0138	0.0225	1
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0078	0.0084	0.0084
Echinococcus granulosus	glutamate receptor 2	0.0842	0.1878	0.5549
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0842	0.1878	0.5549
Schistosoma mansoni	hypothetical protein	0.0287	0.0576	0.17
Loa Loa (eye worm)	deoxyhypusine synthase	0.0138	0.0225	0.0225
Plasmodium vivax	deoxyhypusine synthase, putative	0.0138	0.0225	1
Brugia malayi	hypothetical protein	0.0078	0.0084	0.0084
Brugia malayi	deoxyhypusine synthase	0.0138	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.2198	0.5062	0.5062
Trichomonas vaginalis	deoxyhypusine synthase, putative	0.0138	0.0225	0.5
Schistosoma mansoni	ATP-binding cassette transporter	0.0764	0.1695	0.5008
Mycobacterium ulcerans	oxidoreductase	0.0042	0	0.5
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0287	0.0576	0.17
Brugia malayi	Receptor family ligand binding region containing protein	0.0078	0.0084	0.0084
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0028	0.1228
Brugia malayi	hypothetical protein	0.0235	0.0453	0.0453
Trypanosoma cruzi	extracellular receptor, putative	0.0078	0.0084	0.0084
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0842	0.1878	0.5549
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0287	0.0576	0.17
Echinococcus multilocularis	glutamate receptor NMDA	0.0508	0.1094	0.3233
Leishmania major	C-8 sterol isomerase-like protein	0.4301	1	1
Trypanosoma brucei	deoxyhypusine synthase	0.0138	0.0225	0.0202
Loa Loa (eye worm)	glutamate receptor 1	0.0764	0.1695	0.1695
Echinococcus granulosus	glutamate receptor NMDA	0.0508	0.1094	0.3233
Schistosoma mansoni	glutamate receptor AMPA	0.0764	0.1695	0.5008
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.4301	1	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.0453	0.1338
Schistosoma mansoni	metabotropic glutamate receptor	0.0078	0.0084	0.0247
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.1484	0.3385	1
Toxoplasma gondii	deoxyhypusine synthase	0.0138	0.0225	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0287	0.0576	0.17
Mycobacterium ulcerans	monoamine oxidase	0.0042	0	0.5
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0842	0.1878	0.5549
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0078	0.0084	0.0247
Echinococcus multilocularis	nmda type glutamate receptor	0.0586	0.1277	0.3774
Echinococcus multilocularis	deoxyhypusine synthase	0.0138	0.0225	0.0663
Schistosoma mansoni	tyrosine kinase	0.0078	0.0084	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0453	0.0453
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0287	0.0576	0.17
Leishmania major	deoxyhypusine synthase, putative	0.0138	0.0225	0.0225
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0042	0	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0042	0	0.5
Loa Loa (eye worm)	glutamate receptor 2	0.0764	0.1695	0.1695
Trypanosoma brucei	C-8 sterol isomerase, putative	0.4301	1	1
Brugia malayi	Glutamate receptor 1 precursor	0.0764	0.1695	0.1695
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0842	0.1878	0.5549
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0842	0.1878	0.5549
Onchocerca volvulus		0.0048	0.0013	0.1573
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0078	0.0084	0.0247
Leishmania major	deoxyhypusine synthase;with=GeneDB:Linj34_V3.0350	0.0052	0.0023	0.0023
Trypanosoma cruzi	deoxyhypusine synthase, putative	0.0052	0.0023	0.0023
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0287	0.0576	0.17
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0842	0.1878	0.5549
Echinococcus multilocularis	NMDA receptor	0.0287	0.0576	0.17
Echinococcus granulosus	dnaJ subfamily B	0.0407	0.0856	0.2528
Brugia malayi	Guanylyl cyclase protein 23	0.0078	0.0084	0.0084
Leishmania major	extracellular receptor, putative	0.0078	0.0084	0.0084
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0078	0.0084	0.0084
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0078	0.0084	0.0247
Echinococcus multilocularis	glutamate receptor 2	0.0764	0.1695	0.5008
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0078	0.0084	0.0247
Echinococcus granulosus	nmda type glutamate receptor	0.0815	0.1814	0.5359
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0842	0.1878	0.5549
Echinococcus granulosus	glutamate NMDA receptor subunit	0.1484	0.3385	1
Onchocerca volvulus		0.0078	0.0084	1
Schistosoma mansoni	deoxyhypusine synthase	0.0138	0.0225	0.0663
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0078	0.0084	0.0247
Schistosoma mansoni	glutamate receptor kainate	0.0764	0.1695	0.5008
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0042	0	0.5
Onchocerca volvulus		0.0078	0.0084	1
Schistosoma mansoni	glutamate receptor kainate	0.0764	0.1695	0.5008
Schistosoma mansoni	glutamate receptor NMDA	0.1484	0.3385	1
Brugia malayi	Receptor family ligand binding region containing protein	0.0078	0.0084	0.0084
Echinococcus multilocularis	tyrosine kinase	0.0078	0.0084	0.0247
Echinococcus multilocularis	dnaJ subfamily B	0.0407	0.0856	0.2528
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0078	0.0084	1
Schistosoma mansoni	glutamate receptor AMPA	0.0764	0.1695	0.5008
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0842	0.1878	0.5549
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.4301	1	1
Schistosoma mansoni	protein kinase	0.0078	0.0084	0.0247
Brugia malayi	metabotropic glutamate receptor type 2	0.0078	0.0084	0.0084
Trypanosoma cruzi	deoxyhypusine synthase, putative	0.0052	0.0023	0.0023
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0078	0.0084	0.0084
Echinococcus granulosus	tyrosine kinase	0.0078	0.0084	0.0247
Echinococcus granulosus	glutamate receptor 2	0.0555	0.1203	0.3554
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0078	0.0084	0.0084
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0287	0.0576	0.17
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0042	0	0.5
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0078	0.0084	0.0084
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.0043	0.0126
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.0453	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0078	0.0084	0.0247
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0078	0.0084	0.0084
Schistosoma mansoni	hypothetical protein	0.0048	0.0013	0.0039
Plasmodium falciparum	deoxyhypusine synthase	0.0138	0.0225	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0042	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Echinococcus granulosus	receptor type guanylyl cyclase	0.0078	0.0084	0.0247
Giardia lamblia	Deoxyhypusine synthase, putative	0.0138	0.0225	0.5
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0078	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Trypanosoma cruzi	deoxyhypusine synthase, putative	0.0138	0.0225	0.0225
Echinococcus multilocularis	glutamate receptor 2	0.0842	0.1878	0.5549
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0307	0.062	0.1833
Mycobacterium ulcerans	dehydrogenase	0.0042	0	0.5
Schistosoma mansoni	glutamate receptor kainate	0.0764	0.1695	0.5008
Echinococcus multilocularis	glutamate receptor 2	0.0555	0.1203	0.3554
Schistosoma mansoni	tyrosine kinase	0.0078	0.0084	0.0247
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0042	0	0.5
Loa Loa (eye worm)	glutamate receptor	0.0078	0.0084	0.0084
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0287	0.0576	0.17
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0042	0	0.5
Schistosoma mansoni	glutamate receptor NMDA	0.1351	0.3072	0.9076
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Echinococcus multilocularis	nmda type glutamate receptor	0.0815	0.1814	0.5359
Echinococcus granulosus	nmda type glutamate receptor	0.0586	0.1277	0.3774
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0084	0.0084
Entamoeba histolytica	deoxyhypusine synthase, putative	0.0138	0.0225	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0078	0.0084	0.0247
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0013	0.0039
Echinococcus granulosus	deoxyhypusine synthase	0.0138	0.0225	0.0663
Schistosoma mansoni	hypothetical protein	0.0407	0.0856	0.2528
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0078	0.0084	0.0084

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 892597