TDR Targets

Basic information

Technical information

TDR Targets ID: 618799
Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiaz ol-2-yl]benzamide
MW: 309.386 | Formula: C17H15N3OS
H donors: 1 H acceptors: 3 LogP: 3.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)C(=O)Nc1nnc(s1)c1cccc(c1)C
InChi: 1S/C17H15N3OS/c1-11-5-3-7-13(9-11)15(21)18-17-20-19-16(22-17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H,18,20,21)
InChiKey: NPLCSRWZQNVYFC-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

Oprea1_633435
ZINC03088858

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
Entamoeba histolytica	hexokinase 2	0.0079	0.118	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0129	0.3505	0.3293
Brugia malayi	hexokinase	0.0079	0.118	0.0891
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0129	0.3505	0.3293
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0068	0.0658	0.0353
Brugia malayi	nuclear receptor RXR	0.0068	0.0658	0.0353
Echinococcus granulosus	hexokinase type 2	0.0079	0.118	0.0891
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0129	0.3505	0.3293
Brugia malayi	ecdysteroid receptor	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Loa Loa (eye worm)	nuclear hormone receptor	0.0061	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0129	0.3505	0.3293
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0068	0.0658	0.0353
Echinococcus granulosus	hexokinase	0.0079	0.118	0.0891
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Loa Loa (eye worm)	steroid hormone receptor	0.0129	0.3505	0.3505
Onchocerca volvulus	Protein ultraspiracle homolog	0.0129	0.3505	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0061	0.0317	0.0317
Schistosoma mansoni	hexokinase	0.0079	0.118	0.0891
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0129	0.3505	0.3505
Plasmodium vivax	hexokinase, putative	0.0079	0.118	0.5
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0068	0.0658	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0129	0.3505	0.3293
Onchocerca volvulus		0.0129	0.3505	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0068	0.0658	0.0658
Brugia malayi	hypothetical protein	0.0068	0.0658	0.0353
Brugia malayi	Carboxylesterase family protein	0.0267	1	1
Toxoplasma gondii	hexokinase	0.0079	0.118	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0129	0.3505	0.3293
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0129	0.3505	0.3293
Echinococcus granulosus	acetylcholinesterase	0.0267	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0129	0.3505	0.3293
Echinococcus granulosus	FTZ F1 alpha	0.0129	0.3505	0.3293
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0129	0.3505	0.3293
Echinococcus multilocularis	carboxylesterase 5A	0.0267	1	1
Onchocerca volvulus		0.0079	0.118	0.2706
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Onchocerca volvulus	Bile acid receptor homolog	0.0129	0.3505	1
Brugia malayi	Steroid receptor seven-up type 2	0.0129	0.3505	0.3293
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0129	0.3505	0.3505
Onchocerca volvulus		0.0079	0.118	0.2706
Echinococcus granulosus	hexokinase	0.0079	0.118	0.0891
Echinococcus multilocularis	hexokinase	0.0079	0.118	0.0891
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0129	0.3505	0.3293
Schistosoma mansoni	nuclear hormone receptor	0.0129	0.3505	0.3293
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0129	0.3505	0.3293
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0129	0.3505	0.3505
Echinococcus granulosus	carboxylesterase 5A	0.0267	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0658	0.0658
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0267	1	1
Echinococcus granulosus	hexokinase	0.0079	0.118	0.0891
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0658	0.0658
Loa Loa (eye worm)	DR-78	0.0061	0.0317	0.0317
Brugia malayi	Nuclear hormone receptor-like 1	0.0068	0.0658	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0658	0.0658
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0129	0.3505	0.3293
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0129	0.3505	0.3293
Schistosoma mansoni	retinoic acid receptor RXR	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Echinococcus multilocularis	ecdysone induced protein 78C	0.0129	0.3505	0.3293
Brugia malayi	nuclear receptor NHR-88	0.0129	0.3505	0.3293
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0129	0.3505	0.3293
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0267	1	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Entamoeba histolytica	hexokinase 1	0.0079	0.118	0.5
Plasmodium falciparum	hexokinase	0.0079	0.118	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0129	0.3505	0.3293
Echinococcus multilocularis	hexokinase type 2	0.0079	0.118	0.0891
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0129	0.3505	0.3505
Brugia malayi	photoreceptor-specific nuclear receptor	0.0129	0.3505	0.3293
Onchocerca volvulus		0.0079	0.118	0.2706
Trypanosoma brucei	hexokinase	0.0079	0.118	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0129	0.3505	0.3293
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0129	0.3505	0.3505
Brugia malayi	nuclear hormone receptor	0.0129	0.3505	0.3293
Loa Loa (eye worm)	carboxylesterase	0.0267	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0129	0.3505	0.3505
Echinococcus multilocularis	acetylcholinesterase	0.0267	1	1
Leishmania major	hexokinase, putative	0.0079	0.118	0.5
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Leishmania major	hexokinase, putative	0.0079	0.118	0.5
Loa Loa (eye worm)	hypothetical protein	0.0267	1	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0061	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Schistosoma mansoni	thyroid hormone receptor	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hexokinase	0.0079	0.118	0.118
Brugia malayi	hypothetical protein	0.0068	0.0658	0.0353
Trypanosoma brucei	hexokinase, putative	0.0079	0.118	0.5
Brugia malayi	steroid hormone receptor	0.0129	0.3505	0.3293
Brugia malayi	Hexokinase family protein	0.0079	0.118	0.0891
Loa Loa (eye worm)	hexokinase	0.0079	0.118	0.118
Trypanosoma cruzi	hexokinase, putative	0.0079	0.118	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0129	0.3505	0.3293
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0129	0.3505	0.3293
Trypanosoma brucei	hexokinase	0.0079	0.118	0.5
Loa Loa (eye worm)	hexokinase type II	0.0079	0.118	0.118
Schistosoma mansoni	coup transcription factor	0.0129	0.3505	0.3293
Echinococcus multilocularis	acetylcholinesterase	0.0267	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Echinococcus multilocularis	hexokinase	0.0079	0.118	0.0891
Echinococcus granulosus	acetylcholinesterase	0.0267	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0129	0.3505	0.3293
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0129	0.3505	0.3505
Echinococcus multilocularis	hexokinase	0.0079	0.118	0.0891
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Trypanosoma cruzi	hexokinase, putative	0.0079	0.118	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0129	0.3505	0.3293
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor-like 1	0.0068	0.0658	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Schistosoma mansoni	thyroid hormone receptor	0.0129	0.3505	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3505	0.3505
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0317	0.0317
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0129	0.3505	0.3293
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0068	0.0658	0.0353
Treponema pallidum	hexokinase (hxk)	0.0079	0.118	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0129	0.3505	0.3293
Loa Loa (eye worm)	acetylcholinesterase 1	0.0267	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0129	0.3505	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0129	0.3505	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0129	0.3505	0.3293

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 618799