TDR Targets

Basic information

Technical information

TDR Targets ID: 831829
Name: N-(3,4-dimethoxyphenyl)-4-methyl-2-[(3-methyl -2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]pent anamide
MW: 477.531 | Formula: C22H27N3O7S
H donors: 2 H acceptors: 4 LogP: 2.86 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC)NC(=O)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)CC(C)C
InChi: 1S/C22H27N3O7S/c1-13(2)10-16(21(26)23-14-6-9-18(30-4)20(11-14)31-5)24-33(28,29)15-7-8-17-19(12-15)32-22(27)25(17)3/h6-9,11-13,16,24H,10H2,1-5H3,(H,23,26)
InChiKey: LGNINTPFPCVXFO-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

N-(3,4-dimethoxyphenyl)-2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-methyl-valeramide

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	expressed protein	0.0008	0.0868	0.0251
Onchocerca volvulus		0.0026	0.4393	1
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0008	0.0868	0.5
Echinococcus granulosus	expressed protein	0.0008	0.0868	0.0251
Loa Loa (eye worm)	intermediate filament protein	0.0025	0.4088	0.9117
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	0.6047
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0012	0.1658	0.1097
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0055	0.9966	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0055	0.9966	1
Schistosoma mansoni	cpg binding protein	0.0028	0.4678	0.4619
Schistosoma mansoni	lamin	0.0025	0.4088	0.4023
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Schistosoma mansoni	lamin	0.0025	0.4088	0.4023
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1572	0.1833
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0055	0.9966	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0013	0.1908	0.2804
Schistosoma mansoni	apoferritin-2	0.0008	0.0868	0.0767
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0525	0.6047
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0008	0.0868	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0006	0.0634	0.0531
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0055	0.9966	1
Echinococcus multilocularis	lamin dm0	0.0025	0.4088	0.3701
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	0.6047
Brugia malayi	Intermediate filament tail domain containing protein	0.0025	0.4088	0.9122
Schistosoma mansoni	cpg binding protein	0.0026	0.4393	0.4331
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0055	0.9966	0.5
Brugia malayi	intermediate filament protein	0.0025	0.4088	0.9122
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0939	0.0327
Echinococcus granulosus	lamin	0.0025	0.4088	0.3701
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	0.6047
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0025	0.4088	0.9117
Loa Loa (eye worm)	hypothetical protein	0.0024	0.4002	0.8868
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	0.6047
Echinococcus granulosus	lamin dm0	0.0025	0.4088	0.3701
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1572	0.1833
Toxoplasma gondii	aldehyde dehydrogenase	0.0055	0.9966	1
Schistosoma mansoni	ferritin light chain	0.0008	0.0868	0.0767
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0026	0.4393	1
Echinococcus granulosus	cpg binding protein	0.0028	0.4678	0.4334
Loa Loa (eye worm)	hypothetical protein	0.0025	0.4088	0.9117
Echinococcus multilocularis	musashi	0.0025	0.4088	0.3701
Schistosoma mansoni	aldehyde dehydrogenase	0.0055	0.9966	0.9965
Echinococcus multilocularis	lamin	0.0025	0.4088	0.3701
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Trichomonas vaginalis	ferritin, putative	0.0008	0.0868	1
Schistosoma mansoni	ferritin	0.0008	0.0868	0.0767
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0055	0.9966	1
Schistosoma mansoni	ferritin	0.0008	0.0868	0.0767
Brugia malayi	CXXC zinc finger family protein	0.0026	0.4393	1
Schistosoma mansoni	ferritin	0.0008	0.0868	0.0767
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0939	0.0327
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Schistosoma mansoni	cpg binding protein	0.0028	0.4678	0.4619
Schistosoma mansoni	intermediate filament proteins	0.0025	0.4088	0.4023
Echinococcus multilocularis	ferritin	0.0008	0.0868	0.0251
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Schistosoma mansoni	ferritin light chain	0.0008	0.0868	0.0767
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	0.6047
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1658	0.2082
Brugia malayi	cytoplasmic intermediate filament protein	0.0013	0.1908	0.2845
Schistosoma mansoni	aldehyde dehydrogenase	0.0055	0.9966	0.9965
Schistosoma mansoni	ferritin	0.0008	0.0868	0.0767
Trichomonas vaginalis	helicase, putative	0.0006	0.0525	0.6047
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0055	0.9966	1
Echinococcus granulosus	intermediate filament protein	0.0025	0.4088	0.3701
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0012	0.1658	0.1097
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	0.6047
Schistosoma mansoni	apoferritin-2	0.0008	0.0868	0.0767
Echinococcus multilocularis	cpg binding protein	0.0028	0.4678	0.4334
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0525	0.6047
Treponema pallidum	bacterioferrin (TpF1)	0.0008	0.0868	0.5
Echinococcus granulosus	ferritin	0.0008	0.0868	0.0251
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	0.6047

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 831829