TDR Targets

Basic information

Technical information

TDR Targets ID: 847637
Name: 3-(2-methoxyphenyl)-1-[5-(3-methylpiperidin-1 -yl)-1,3,4-thiadiazol-2-yl]urea
MW: 347.435 | Formula: C16H21N5O2S
H donors: 2 H acceptors: 3 LogP: 2.97 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1NC(=O)Nc1nnc(s1)N1CCCC(C1)C
InChi: 1S/C16H21N5O2S/c1-11-6-5-9-21(10-11)16-20-19-15(24-16)18-14(22)17-12-7-3-4-8-13(12)23-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,17,18,19,22)
InChiKey: SKWNSITUUFGZRT-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-(2-methoxyphenyl)-1-[5-(3-methyl-1-piperidyl)-1,3,4-thiadiazol-2-yl]urea
3-(2-methoxyphenyl)-1-[5-(3-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea

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
Trypanosoma brucei	RNA helicase, putative	0.0178	0.7438	1
Schistosoma mansoni	heat shock protein	0.0031	0.0485	0.0652
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0485	0.3326
Trypanosoma cruzi	heat shock protein 85, putative	0.0031	0.0485	0.3789
Trypanosoma brucei	heat shock protein 90, putative	0.0031	0.0485	0.0652
Echinococcus multilocularis	heat shock protein 90	0.0026	0.0276	0.063
Echinococcus multilocularis	geminin	0.0113	0.4382	1
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0047	0.128	1
Schistosoma mansoni	hypothetical protein	0.0113	0.4382	0.5892
Echinococcus multilocularis	endoplasmin	0.0029	0.0396	0.0904
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Trypanosoma cruzi	heat shock protein 85, putative	0.0026	0.0276	0.2158
Trypanosoma cruzi	heat shock protein 90, putative	0.0026	0.0276	0.2158
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Trypanosoma brucei	hypothetical protein, conserved	0.0051	0.147	0.1976
Plasmodium vivax	heat shock protein 86, putative	0.0031	0.0485	0.1074
Trypanosoma cruzi	ribonuclease H1, putative	0.0047	0.128	1
Schistosoma mansoni	phosphoglucomutase	0.0047	0.128	0.172
Giardia lamblia	Ribonuclease H	0.0047	0.128	0.1032
Schistosoma mansoni	endoplasmin	0.0031	0.0485	0.0652
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Trypanosoma cruzi	heat shock protein 85, putative	0.0031	0.0485	0.3789
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Echinococcus multilocularis	ribonuclease H1	0.0047	0.128	0.292
Echinococcus multilocularis	heat shock protein 90	0.0031	0.0485	0.1106
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Trypanosoma cruzi	ribonuclease H1, putative	0.0047	0.128	1
Echinococcus granulosus	geminin	0.0113	0.4382	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0029	0.0396	0.5
Giardia lamblia	Grp94/Hsp90	0.0029	0.0396	0.0123
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0066	0.2159	0.2159
Leishmania major	ribonuclease H1, putative	0.0047	0.128	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0026	0.0276	0.063
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0033	0.0612	0.4782
Schistosoma mansoni	hypothetical protein	0.0178	0.7438	1
Trypanosoma brucei	heat shock protein 90, putative	0.0031	0.0485	0.0652
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0033	0.0612	1
Entamoeba histolytica	hypothetical protein	0.0066	0.2159	0.2159
Toxoplasma gondii	heat shock protein HSP90	0.0031	0.0485	0.1074
Trypanosoma brucei	ribonuclease H1	0.0047	0.128	0.172
Onchocerca volvulus	Ribonuclease H1 homolog	0.0047	0.128	1
Brugia malayi	Endoplasmin precursor	0.0031	0.0485	0.3789
Trypanosoma brucei	ingi protein (ORF1)	0.0051	0.147	0.1976
Brugia malayi	RNase H family protein	0.0047	0.128	1
Toxoplasma gondii	heat shock protein 90, putative	0.0031	0.0485	0.1074
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Trypanosoma cruzi	heat shock protein 85, putative	0.0031	0.0485	0.3789
Echinococcus granulosus	heat shock protein	0.0031	0.0485	0.1106
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0033	0.0612	0.4782
Echinococcus granulosus	heat shock protein 90	0.0026	0.0276	0.063
Brugia malayi	RNase H family protein	0.0047	0.128	1
Brugia malayi	RNase H family protein	0.0047	0.128	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0031	0.0485	0.3789
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Plasmodium vivax	heat shock protein, putative	0.0116	0.4515	1
Trypanosoma brucei	unspecified product	0.0051	0.147	0.1976
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Trypanosoma cruzi	Heat shock protein 83, putative	0.0031	0.0485	0.3789
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Echinococcus granulosus	heat shock protein 90	0.0031	0.0485	0.1106
Trypanosoma brucei	Heat shock protein 83, putative	0.0031	0.0485	0.0652
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0029	0.0396	0.3095
Trypanosoma brucei	ingi protein (ORF1)	0.0051	0.147	0.1976
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Plasmodium falciparum	heat shock protein 90	0.0031	0.0485	0.0895
Entamoeba histolytica	heat shock protein 90, putative	0.0031	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0115	0.1874
Toxoplasma gondii	ribonuclease HI protein	0.0047	0.128	0.2834
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0612	1
Schistosoma mansoni	endoplasmin	0.0031	0.0485	0.0652
Schistosoma mansoni	phosphoglucomutase	0.0047	0.128	0.172
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0276	0.1574
Trichomonas vaginalis	heat shock protein, putative	0.0029	0.0396	0.2581
Loa Loa (eye worm)	heat shock protein 90	0.0031	0.0485	0.7924
Brugia malayi	latrophilin 2 splice variant baaae	0.0023	0.0115	0.0896
Echinococcus multilocularis	heat shock protein	0.0031	0.0485	0.1106
Brugia malayi	heat shock protein 90	0.0031	0.0485	0.3789
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0031	0.0485	0.0215
Loa Loa (eye worm)	endoplasmin	0.0031	0.0485	0.7924
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0051	0.147	0.1976
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Schistosoma mansoni	hypothetical protein	0.0023	0.0115	0.0154
Echinococcus granulosus	endoplasmin	0.0029	0.0396	0.0904
Schistosoma mansoni	heat shock protein	0.0031	0.0485	0.0652
Trichomonas vaginalis	ribonuclease H1, putative	0.0047	0.128	1
Entamoeba histolytica	heat shock protein 90, putative	0.0031	0.0485	0.0485
Schistosoma mansoni	hypothetical protein	0.0113	0.4382	0.5892
Echinococcus granulosus	ribonuclease H1	0.0047	0.128	0.292
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Giardia lamblia	DNA repair protein RAD52	0.0232	1	1
Plasmodium vivax	endoplasmin, putative	0.0031	0.0485	0.1074
Treponema pallidum	ribonuclease H (rnhA)	0.0047	0.128	1
Trichomonas vaginalis	heat shock protein, putative	0.0029	0.0396	0.2581
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Trypanosoma brucei	heat shock protein, putative	0.0031	0.0485	0.0652
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0029	0.0396	0.5
Plasmodium falciparum	heat shock protein 90, putative	0.0116	0.4515	1
Mycobacterium ulcerans	heat shock protein 90	0.0029	0.0396	0.5
Schistosoma mansoni	phosphoglucomutase	0.0047	0.128	0.172
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789
Toxoplasma gondii	Hsp90 domain-containing protein	0.0116	0.4515	1
Leishmania major	heat shock protein 83-1	0.0031	0.0485	0.3789

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 847637