TDR Targets

Basic information

Technical information

TDR Targets ID: 1575106
Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]- 2-ethoxybenzamide
MW: 342.346 | Formula: C18H18N2O5
H donors: 2 H acceptors: 2 LogP: 2.25 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)OCO2
InChi: 1S/C18H18N2O5/c1-2-23-14-6-4-3-5-13(14)18(22)19-10-17(21)20-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3,(H,19,22)(H,20,21)
InChiKey: XKXLPSJMQUVOLV-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-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-2-ethoxy-benzamide
N-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-2-ethoxy-benzamide
ZINC05958554
T5342610

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

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
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0137	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Onchocerca volvulus	Bile acid receptor homolog	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0137	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0065	0.1592	0.1592
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0051	0	0.5
Onchocerca volvulus		0.0137	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2492	0.2492
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Brugia malayi	nuclear hormone receptor	0.0065	0.1592	0.1592
Brugia malayi	nuclear receptor NHR-67	0.0065	0.1592	0.1592
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0137	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2556	0.2556
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2492	0.2492
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0137	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0137	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0065	0.1592	0.1592
Brugia malayi	nuclear hormone receptor	0.0137	1	1
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0137	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0137	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Brugia malayi	Steroid receptor seven-up type 2	0.0137	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0137	1	1
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0051	0	0.5
Brugia malayi	conserved hypotetical protein	0.0065	0.1592	0.1592
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0065	0.1592	0.1592
Echinococcus multilocularis	nuclear receptor nhr 48	0.0065	0.1592	0.1592
Schistosoma mansoni	thyroid hormone receptor	0.0137	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0137	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2492	0.2492
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2492	0.2492
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0137	1	1
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Brugia malayi	hypothetical protein	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0051	0	0.5
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0051	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0073	0.2492	0.2492
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.2556	0.2556
Schistosoma mansoni	nuclear hormone receptor	0.0137	1	1
Brugia malayi	hypothetical protein	0.0065	0.1592	0.1592
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0137	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.2556	0.2556
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0137	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0137	1	1
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0051	0	0.5
Brugia malayi	nuclear receptor NHR-88	0.0065	0.1592	0.1592
Loa Loa (eye worm)	RNA binding protein	0.0073	0.2556	0.2556
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0137	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0065	0.1592	0.1592
Echinococcus granulosus	ecdysone induced protein 78C	0.0137	1	1
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0051	0	0.5
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0065	0.1592	0.1592
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0137	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.2556	0.2556
Giardia lamblia	Synaptic glycoprotein SC2	0.0051	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0137	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0065	0.1592	0.1592
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0051	0	0.5
Echinococcus granulosus	tar DNA binding protein	0.0073	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0137	1	1
Brugia malayi	hypothetical protein	0.0073	0.2492	0.2492
Brugia malayi	photoreceptor-specific nuclear receptor	0.0137	1	1
Plasmodium vivax	polyprenol reductase, putative	0.0051	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0065	0.1592	0.1592
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Onchocerca volvulus		0.0065	0.1592	0.1592
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0137	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0065	0.1592	0.1592
Brugia malayi	nuclear receptor RXR	0.0073	0.2492	0.2492
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0065	0.1592	0.1592
Brugia malayi	Nuclear hormone receptor-like 1	0.0073	0.2492	0.2492
Plasmodium falciparum	polyprenol reductase, putative	0.0051	0	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0065	0.1592	0.1592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0137	1	1
Entamoeba histolytica	hypothetical protein	0.0051	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0137	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0073	0.2492	0.2492
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0051	0	0.5
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0073	0.2492	0.2492
Schistosoma mansoni	zinc finger protein	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0137	1	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Brugia malayi	tailless protein	0.0065	0.1592	0.1592
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0065	0.1592	0.1592
Brugia malayi	nuclear receptor NHR-88	0.0137	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0065	0.1592	0.1592
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0137	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2556	0.2556
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0137	1	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0065	0.1592	0.1592
Mycobacterium ulcerans	hypothetical protein	0.0051	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0137	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0137	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0137	1	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0065	0.1592	0.1592
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Brugia malayi	nuclear receptor RXR	0.0065	0.1592	0.1592
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0137	1	1
Brugia malayi	TAR-binding protein	0.0073	0.2556	0.2556
Schistosoma mansoni	RAR-like nuclear receptor	0.0137	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0073	0.2492	0.2492
Onchocerca volvulus		0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2492	0.2492
Schistosoma mansoni	nuclear receptor nhr-48	0.0065	0.1592	0.1592
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0065	0.1592	0.1592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0137	1	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0051	0	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.2556	0.2556
Echinococcus multilocularis	ecdysone induced protein 78C	0.0137	1	1
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0051	0	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0073	0.2492	0.2492
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Schistosoma mansoni	coup transcription factor	0.0137	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Schistosoma mansoni	nuclear receptor	0.0065	0.1592	0.1592
Brugia malayi	RNA binding protein	0.0073	0.2556	0.2556
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0065	0.1592	0.1592
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0137	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0065	0.1592	0.1592
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0073	0.2492	0.2492
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0137	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0137	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0137	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0137	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1592	0.1592
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0137	1	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0051	0	0.5
Brugia malayi	orphan nuclear receptor NR2E1	0.0065	0.1592	0.1592
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0137	1	1
Loa Loa (eye worm)	DR-78	0.0065	0.1592	0.1592
Schistosoma mansoni	nuclear receptor	0.0065	0.1592	0.1592
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0137	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0065	0.1592	0.1592
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0051	0	0.5
Brugia malayi	hypothetical protein	0.0073	0.2492	0.2492
Brugia malayi	steroid hormone receptor	0.0137	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0137	1	1
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0137	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0137	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0065	0.1592	0.1592
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2556	0.2556
Brugia malayi	ecdysone receptor	0.0065	0.1592	0.1592
Echinococcus granulosus	thyroid hormone receptor alpha	0.0065	0.1592	0.1592
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0137	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2556	0.2556
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0065	0.1592	0.1592

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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

ChEMBL: CHEMBL1898935

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1575106