TDR Targets

Basic information

Technical information

TDR Targets ID: 660723
Name: 3,4-dimethoxy-N-[5-[(4-nitrophenyl)methylsulf anyl]-1,3,4-thiadiazol-2-yl]benzamide
MW: 432.473 | Formula: C18H16N4O5S2
H donors: 1 H acceptors: 5 LogP: 3.64 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC)C(=O)Nc1nnc(s1)SCc1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C18H16N4O5S2/c1-26-14-8-5-12(9-15(14)27-2)16(23)19-17-20-21-18(29-17)28-10-11-3-6-13(7-4-11)22(24)25/h3-9H,10H2,1-2H3,(H,19,20,23)
InChiKey: KDYVEWMDOBNPBJ-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-dimethoxy-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide
3,4-dimethoxy-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide
ZINC02836239

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
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2608	1
Brugia malayi	MH2 domain containing protein	0.012	0.6608	0.8448
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0687	0.0878
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0006	0.0088	0.0113
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2608	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0141	0.7822	1
Echinococcus multilocularis	geminin	0.0179	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0088	0.0113
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0209	0.0122
Echinococcus granulosus	Smad4	0.0008	0.0209	0.0122
Brugia malayi	Smad1	0.0008	0.0209	0.0267
Brugia malayi	MH2 domain containing protein	0.0008	0.0209	0.0267
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.0006	0.0088	0.0113
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0209	0.0122
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0687	0.0604
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.2608	1
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.0006	0.0088	0.0113
Trypanosoma brucei	protein kinase, putative	0.005	0.2608	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.7822	0.7802
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0687	0.0604
Brugia malayi	MAP kinase sur-1	0.005	0.2608	0.3335
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0141	0.7822	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2608	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.2608	0.2542
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.2608	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0687	0.0604
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.0006	0.0088	0.0113
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.0006	0.0088	0.0113
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0209	0.0122
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0209	0.0122
Brugia malayi	MH1 domain containing protein	0.0008	0.0209	0.0267
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.6608	0.8448
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0209	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0088	0.0113
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0687	0.0878
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2608	1
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.0006	0.0088	0.0113
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.0006	0.0088	0.0113
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.2608	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.7822	0.7802
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.2608	1
Onchocerca volvulus		0.0006	0.0088	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.7822	0.7802
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.2608	0.2542
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.2608	1
Brugia malayi	MH1 domain containing protein	0.0008	0.0209	0.0267
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.2608	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0209	0.0267
Echinococcus multilocularis	Smad4	0.0008	0.0209	0.0122
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.0006	0.0088	0.0113
Loa Loa (eye worm)	G protein alpha subunit 3	0.0006	0.0088	0.0113
Onchocerca volvulus		0.0006	0.0088	0.5
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0687	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.7822	0.7802
Schistosoma mansoni	smad	0.0008	0.0209	0.0122
Schistosoma mansoni	hypothetical protein	0.0179	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.6608	0.8448
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.2608	0.3335
Entamoeba histolytica	G protein alpha subunit, putative	0.0006	0.0088	0.5
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0006	0.0088	0.0113
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0687	0.0604
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0687	0.5
Echinococcus multilocularis	smad	0.0008	0.0209	0.0122
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0687	0.5
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0209	0.0267
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.2608	0.2542
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.0006	0.0088	0.0113
Schistosoma mansoni	hypothetical protein	0.0179	1	1
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.2608	0.2542
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.0006	0.0088	0.0113
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0687	0.0604
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.2608	1
Brugia malayi	hypothetical protein	0.0006	0.0088	0.0113
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0209	0.0122
Brugia malayi	MH2 domain containing protein	0.0008	0.0209	0.0267
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.2608	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.7822	0.7802
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0088	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0088	0.0113
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0209	0.0122
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0209	0.0122
Schistosoma mansoni	Smad4	0.0008	0.0209	0.0122
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.2608	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0687	0.0604
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.0006	0.0088	0.0113
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.0006	0.0088	0.0113
Echinococcus granulosus	smad	0.0008	0.0209	0.0122
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0687	0.0878
Loa Loa (eye worm)	Smad1	0.0008	0.0209	0.0267
Onchocerca volvulus		0.0006	0.0088	0.5
Brugia malayi	G-protein alpha subunit	0.0006	0.0088	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0088	0.0113
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.2608	0.2542
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0687	0.0604
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.7822	0.7802
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.7822	0.7802

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 660723