TDR Targets

Basic information

Technical information

TDR Targets ID: 709071
Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-(2-phenyle thyl)thiourea
MW: 342.498 | Formula: C20H26N2OS
H donors: 2 H acceptors: 0 LogP: 5.13 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1NC(=S)NCCc1ccccc1)C(C)(C)C
InChi: 1S/C20H26N2OS/c1-20(2,3)16-10-11-18(23-4)17(14-16)22-19(24)21-13-12-15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H2,21,22,24)
InChiKey: UZPCCBXSFPUYQA-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

1-(5-tert-butyl-2-methoxy-phenyl)-3-(2-phenylethyl)thiourea
ZINC00610690
Oprea1_281307

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
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0491	1	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0284	0.544	0.544
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0096	0.1315	0.1315
Schistosoma mansoni	hypothetical protein	0.0305	0.591	0.591
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0096	0.1315	0.1315
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.012	0.012
Schistosoma mansoni	peptidase Clp (S14 family)	0.0083	0.1013	0.1013
Echinococcus multilocularis	glutamate receptor 2	0.0284	0.544	0.544
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.0387	0.5
Echinococcus multilocularis	glutamate receptor 2	0.026	0.492	0.492
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0287	0.0287
Brugia malayi	jmjC domain containing protein	0.0099	0.137	0.2784
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0287	0.0583
Schistosoma mansoni	glutamate receptor kainate	0.026	0.492	0.492
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0199	0.3579	0.3579
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0284	0.544	0.544
Schistosoma mansoni	hypothetical protein	0.0176	0.3068	0.3068
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0109	0.1594	0.1594
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.0438	0.0438
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.0796	0.0796
Echinococcus granulosus	geminin	0.0176	0.3068	0.3068
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1317	0.1317
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.0387	0.0387
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1317	0.1317
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0083	0.1013	0.1013
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.0796	0.0796
Echinococcus multilocularis	glutamate receptor 2	0.0188	0.3322	0.3322
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0796	0.1617
Brugia malayi	Glutamate receptor 1 precursor	0.026	0.492	1
Schistosoma mansoni	hypothetical protein	0.0176	0.3068	0.3068
Schistosoma mansoni	glutamate receptor NMDA	0.0444	0.8956	0.8956
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0287	0.0287
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1013	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.1594	0.1594
Schistosoma mansoni	glutamate receptor AMPA	0.026	0.492	0.492
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1013	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0567	0.1152
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0109	0.1594	0.1594
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.137	0.137
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1013	0.5
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0284	0.544	0.544
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0199	0.3579	0.3579
Loa Loa (eye worm)	hypothetical protein	0.005	0.0287	0.0583
Brugia malayi	Probable ClpP-like protease	0.0083	0.1013	0.2058
Schistosoma mansoni	glutamate receptor kainate	0.026	0.492	0.492
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.0438	0.0889
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.0387	0.5
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0096	0.1315	0.1315
Schistosoma mansoni	glutamate receptor AMPA	0.026	0.492	0.492
Echinococcus granulosus	glutamate receptor 2	0.0284	0.544	0.544
Schistosoma mansoni	glutamate receptor kainate	0.026	0.492	0.492
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0438	0.0889
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1317	0.1317
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1013	0.5
Echinococcus multilocularis	nmda type glutamate receptor	0.0184	0.3233	0.3233
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0287	0.0287
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.137	0.137
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.012	0.012
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0096	0.1315	0.1315
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0083	0.1013	1
Brugia malayi	mbt repeat family protein	0.005	0.0287	0.0583
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0284	0.544	0.544
Schistosoma mansoni	jumonji domain containing protein	0.0079	0.0923	0.0923
Schistosoma mansoni	hypothetical protein	0.0096	0.1315	0.1315
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0284	0.544	0.544
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1317	0.1317
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0096	0.1315	0.1315
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.0438	0.0438
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0109	0.1594	0.1594
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0096	0.1315	0.1315
Onchocerca volvulus		0.005	0.0287	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1317	0.1317
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0287	0.0287
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0284	0.544	0.544
Brugia malayi	Glutamate receptor 2 precursor	0.026	0.492	1
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0096	0.1315	0.1315
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.1594	0.1594
Schistosoma mansoni	ATP-binding cassette transporter	0.026	0.492	0.492
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.1594	0.1594
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0096	0.1315	0.1315
Echinococcus multilocularis	glutamate receptor NMDA	0.016	0.2713	0.2713
Schistosoma mansoni	glutamate receptor NMDA	0.0491	1	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0287	0.0287
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.1317	0.2676
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.1317	0.2676
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0073	0.0796	0.5
Echinococcus granulosus	glutamate receptor NMDA	0.016	0.2713	0.2713
Loa Loa (eye worm)	glutamate receptor 1	0.026	0.492	1
Echinococcus granulosus	nmda type glutamate receptor	0.0256	0.4831	0.4831
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.1594	0.1594
Loa Loa (eye worm)	glutamate receptor 2	0.026	0.492	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1013	0.5
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0287	0.5
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0287	0.0287
Echinococcus granulosus	glutamate receptor 2	0.0188	0.3322	0.3322
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0287	0.0287
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0083	0.1013	0.1013
Toxoplasma gondii	melibiase subfamily protein	0.0109	0.1594	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1013	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.0438	0.0438
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1013	0.5
Echinococcus multilocularis	NMDA receptor	0.0096	0.1315	0.1315
Brugia malayi	mbt repeat family protein	0.005	0.0287	0.0583
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0083	0.1013	0.5
Echinococcus granulosus	nmda type glutamate receptor	0.0184	0.3233	0.3233
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1317	0.1317
Echinococcus multilocularis	nmda type glutamate receptor	0.0256	0.4831	0.4831
Loa Loa (eye worm)	MBCTL1	0.0056	0.0438	0.0889
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0284	0.544	0.544
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.0438	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1013	0.2058
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0334	0.068
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.0438	0.0438
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0284	0.544	0.544
Brugia malayi	Melibiase family protein	0.0073	0.0796	0.1617
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1317	0.1317
Echinococcus multilocularis	geminin	0.0176	0.3068	0.3068

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 709071