TDR Targets

Basic information

Technical information

TDR Targets ID: 894852
Name: N-(4-acetylphenyl)-2,3-dihydro-1,4-benzodioxi ne-7-carboxamide
MW: 297.305 | Formula: C17H15NO4
H donors: 1 H acceptors: 2 LogP: 2.16 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc2c(c1)OCCO2)Nc1ccc(cc1)C(=O)C
InChi: 1S/C17H15NO4/c1-11(19)12-2-5-14(6-3-12)18-17(20)13-4-7-15-16(10-13)22-9-8-21-15/h2-7,10H,8-9H2,1H3,(H,18,20)
InChiKey: LAZDJAZWMIFDKY-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-(4-ethanoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CBMicro_006862
ZINC00447552
BIM-0006999.P001

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 granulosus	cpg binding protein	0.0319	0.3761	0.5614
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0138	0.0318
Schistosoma mansoni	cpg binding protein	0.0319	0.3761	0.7084
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0046	0.0216	0.0202
Schistosoma mansoni	cpg binding protein	0.0317	0.3732	0.7029
Plasmodium vivax	DNA (cytosine-5)-methyltransferase, putative	0.0436	0.5275	1
Echinococcus granulosus	heat shock protein 90	0.0046	0.0216	0.0202
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0053	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0138	0.0129
Onchocerca volvulus		0.008	0.0661	0.1355
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0169	0.02
Giardia lamblia	Grp94/Hsp90	0.005	0.0273	0.5748
Echinococcus multilocularis	DNA methyltransferase 2, putative	0.0436	0.5275	0.7924
Schistosoma mansoni	phd finger protein	0.0083	0.0697	0.1182
Brugia malayi	Hsp90 protein	0.0035	0.0083	0.0192
Schistosoma mansoni	hypothetical protein	0.008	0.0661	0.1113
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0377	0.0866
Brugia malayi	hypothetical protein	0.008	0.0661	0.1521
Echinococcus granulosus	DNA methyltransferase 2, putative	0.0436	0.5275	0.7924
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Echinococcus granulosus	metastasis associated protein MTA1	0.0042	0.0169	0.013
Entamoeba histolytica	heat shock protein 90, putative	0.0053	0.0316	0.0447
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Loa Loa (eye worm)	endoplasmin	0.0053	0.0316	0.0545
Echinococcus multilocularis	polybromo 1	0.0045	0.0205	0.0185
Brugia malayi	ELM2 domain containing protein	0.0042	0.0169	0.0389
Echinococcus multilocularis	heat shock protein 90	0.0046	0.0216	0.0202
Trichomonas vaginalis	heat shock protein, putative	0.005	0.0273	0.8533
Echinococcus granulosus	bromo adjacent y domain containing 1	0.0042	0.0169	0.013
Loa Loa (eye worm)	hypothetical protein	0.0254	0.291	0.663
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Trypanosoma cruzi	heat shock protein, putative	0.0035	0.0083	0.0683
Toxoplasma gondii	Hsp90 domain-containing protein	0.0202	0.2246	0.2214
Echinococcus granulosus	disco interacting protein 2	0.0365	0.4347	0.6509
Echinococcus granulosus	neuropeptide s receptor	0.0541	0.6635	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0159	0.1677	0.2432
Plasmodium vivax	heat shock protein 86, putative	0.0053	0.0316	0.0447
Echinococcus granulosus	histone h3 methyltransferase	0.0254	0.291	0.4315
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.0216	0.2816
Trypanosoma brucei	cytosine-specific DNA methylase, putative	0.0436	0.5275	1
Trichomonas vaginalis	endoplasmin, putative	0.0039	0.0126	0.345
Onchocerca volvulus		0.008	0.0661	0.1355
Trypanosoma brucei	transcription elongation factor s-II, putative	0.008	0.0661	0.1185
Echinococcus granulosus	PWWP domain containing protein 2A	0.008	0.0661	0.0882
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0661	1
Schistosoma mansoni	hypothetical protein	0.008	0.0661	0.1113
Trypanosoma cruzi	heat shock protein 85, putative	0.0053	0.0316	0.4427
Trypanosoma cruzi	heat shock protein 85, putative	0.0053	0.0316	0.4427
Toxoplasma gondii	heat shock protein 90, putative	0.0053	0.0316	0.0276
Trypanosoma cruzi	heat shock protein 90, putative	0.0053	0.0316	0.4427
Trichomonas vaginalis	heat shock protein, putative	0.005	0.0273	0.8533
Onchocerca volvulus		0.0317	0.3732	0.8558
Echinococcus granulosus	geminin	0.0197	0.2182	0.3203
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0042	0.0169	0.0165
Echinococcus multilocularis	disco interacting protein 2	0.0365	0.4347	0.6509
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0166	0.0127
Schistosoma mansoni	polybromo-1	0.0045	0.0205	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0203	0.0281
Trichomonas vaginalis	CDC6, putative	0.0042	0.0169	0.4933
Trichomonas vaginalis	heat shock protein, putative	0.0053	0.0316	1
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Loa Loa (eye worm)	PWWP domain-containing protein	0.008	0.0661	0.1355
Trypanosoma cruzi	transcription elongation factor-like protein, putative	0.008	0.0661	1
Toxoplasma gondii	heat shock protein HSP90	0.0053	0.0316	0.0276
Echinococcus multilocularis	metastasis associated protein MTA1	0.0042	0.0169	0.013
Echinococcus granulosus	neuropeptide receptor A26	0.0541	0.6635	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0239	0.0365
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0661	1
Brugia malayi	GATA zinc finger family protein	0.0042	0.0169	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0205	0.0284
Brugia malayi	PWWP domain containing protein	0.008	0.0661	0.1521
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0377	0.0687
Brugia malayi	CXXC zinc finger family protein	0.0317	0.3732	0.8586
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0042	0.0169	0.0165
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Echinococcus granulosus	metastasis associated protein 1 mta1	0.0042	0.0169	0.013
Loa Loa (eye worm)	heat shock protein 90	0.0053	0.0316	0.0545
Schistosoma mansoni	histone J3 methyltransferase	0.0254	0.291	0.5445
Echinococcus multilocularis	arginine glutamic acid dipeptide (RE) repeats	0.0042	0.0169	0.013
Echinococcus granulosus	heat shock protein	0.0053	0.0316	0.0354
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Brugia malayi	SET domain containing protein	0.0044	0.0198	0.0455
Loa Loa (eye worm)	hypothetical protein	0.005	0.0268	0.0432
Schistosoma mansoni	hypothetical protein	0.004	0.0138	0.0106
Trypanosoma brucei	heat shock protein 90, putative	0.0053	0.0316	0.0525
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Schistosoma mansoni	endoplasmin	0.0053	0.0316	0.0447
Entamoeba histolytica	hypothetical protein	0.008	0.0661	0.1113
Echinococcus multilocularis	hepatoma derived growth factor protein	0.008	0.0661	0.0882
Schistosoma mansoni	hepatoma derived growth factor	0.008	0.0661	0.1113
Brugia malayi	Histone-lysine N-methyltransferase, H3 lysine-79 specific	0.0254	0.291	0.6694
Trypanosoma cruzi	Heat shock protein 83, putative	0.0053	0.0316	0.4427
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0216	0.2816
Echinococcus multilocularis	geminin	0.0197	0.2182	0.3203
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0042	0.0169	0.0165
Schistosoma mansoni	heat shock protein	0.0053	0.0316	0.0447
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0166	0.0127
Onchocerca volvulus		0.0365	0.4347	1
Brugia malayi	heat shock protein 90	0.0053	0.0316	0.0726
Schistosoma mansoni	endoplasmin	0.0053	0.0316	0.0447
Brugia malayi	Bromodomain containing protein	0.0087	0.0756	0.1739
Entamoeba histolytica	heat shock protein 90, putative	0.0053	0.0316	0.0447
Trichomonas vaginalis	origin recognition complex subunit, putative	0.0042	0.0169	0.4933
Trypanosoma brucei	Heat shock protein 83, putative	0.0053	0.0316	0.0525
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Toxoplasma gondii	hypothetical protein	0.0801	1	1
Brugia malayi	Endoplasmin precursor	0.0053	0.0316	0.0726
Trypanosoma brucei	heat shock protein 84, putative	0.0035	0.0083	0.0081
Plasmodium falciparum	heat shock protein 90, putative	0.0202	0.2246	0.2225
Brugia malayi	Disco-interacting protein 2 homolog	0.0365	0.4347	1
Echinococcus granulosus	PWWP domain containing protein 2A	0.008	0.0661	0.0882
Schistosoma mansoni	disco-interacting protein 2 (dip2)	0.0365	0.4347	0.8213
Leishmania major	modification methylase-like protein	0.0436	0.5275	1
Echinococcus multilocularis	neuropeptide s receptor	0.0541	0.6635	1
Schistosoma mansoni	hepatoma derived growth factor	0.008	0.0661	0.1113
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.0216	0.655
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Echinococcus multilocularis	peregrin	0.0083	0.0697	0.0936
Echinococcus multilocularis	endoplasmin	0.005	0.0273	0.029
Schistosoma mansoni	hypothetical protein	0.0042	0.0169	0.0165
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Leishmania major	heat shock protein, putative	0.0035	0.0083	0.0081
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0147	0.1524	0.22
Schistosoma mansoni	hypothetical protein	0.008	0.0661	0.1113
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.005	0.0273	0.5
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Schistosoma mansoni	bromo adjacent homology domain containing	0.0042	0.0169	0.0165
Toxoplasma gondii	DNA methyltransferase 2, putative	0.0436	0.5275	0.5255
Brugia malayi	polybromodomain protein	0.0045	0.0205	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0365	0.4347	1
Trypanosoma cruzi	MIZ/SP-RING zinc finger, putative	0.008	0.0661	1
Plasmodium falciparum	heat shock protein 90	0.0053	0.0316	0.029
Echinococcus granulosus	polybromo 1	0.0045	0.0205	0.0185
Echinococcus multilocularis	cpg binding protein	0.0319	0.3761	0.5614
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0317	0.3732	0.8558
Mycobacterium ulcerans	heat shock protein 90	0.005	0.0273	0.5
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0692	0.1426
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0147	0.1524	0.22
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Echinococcus multilocularis	heat shock protein	0.0053	0.0316	0.0354
Schistosoma mansoni	cpg binding protein	0.0319	0.3761	0.7084
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Schistosoma mansoni	bromodomain containing protein	0.0074	0.0579	0.0955
Treponema pallidum	heat shock protein 90	0.005	0.0273	0.5
Toxoplasma gondii	C-5 cytosine-specific DNA methylase superfamily protein	0.0436	0.5275	0.5255
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0126	0.345
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Echinococcus multilocularis	PWWP domain containing protein 2A	0.008	0.0661	0.0882
Schistosoma mansoni	hypothetical protein	0.0197	0.2182	0.4042
Loa Loa (eye worm)	hypothetical protein	0.008	0.0661	0.1355
Trypanosoma cruzi	transcription elongation factor s-II, putative	0.008	0.0661	1
Schistosoma mansoni	DNA (cytosine-5)-methyltransferase	0.0436	0.5275	1
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0042	0.0169	0.0165
Toxoplasma gondii	hypothetical protein	0.008	0.0661	0.0623
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.1677	0.307
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Brugia malayi	hypothetical protein	0.008	0.0661	0.1521
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.0525	0.0674
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.1677	0.307
Echinococcus granulosus	hepatoma derived growth factor protein	0.008	0.0661	0.0882
Echinococcus granulosus	heat shock protein 90	0.0053	0.0316	0.0354
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0377	0.0687
Plasmodium falciparum	DNA (cytosine-5)-methyltransferase	0.0436	0.5275	0.5263
Schistosoma mansoni	hypothetical protein	0.0147	0.1524	0.2776
Echinococcus multilocularis	neuropeptide receptor A26	0.0541	0.6635	1
Echinococcus granulosus	endoplasmin	0.005	0.0273	0.029
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.005	0.0273	0.5
Trypanosoma cruzi	heat shock protein 85, putative	0.0053	0.0316	0.4427
Echinococcus multilocularis	histone h3 methyltransferase	0.0254	0.291	0.4315
Echinococcus multilocularis	heat shock protein 90	0.0053	0.0316	0.0354
Entamoeba histolytica	DNA (cytosine-5)-methyltransferase, putative	0.0436	0.5275	1
Echinococcus granulosus	peregrin	0.0083	0.0697	0.0936
Toxoplasma gondii	heat shock protein 75, putative	0.0035	0.0083	0.0043
Echinococcus granulosus	arginine glutamic acid dipeptide RE repeats	0.0042	0.0169	0.013
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0169	0.02
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Schistosoma mansoni	heat shock protein	0.0053	0.0316	0.0447
Echinococcus multilocularis	metastasis associated protein 1 (mta1)	0.0042	0.0169	0.013
Echinococcus multilocularis	PWWP domain containing protein 2A	0.008	0.0661	0.0882
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Trypanosoma brucei	heat shock protein, putative	0.0053	0.0316	0.0525
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.005	0.0273	0.5
Brugia malayi	Bromodomain containing protein	0.0045	0.0202	0.0465
Trypanosoma brucei	heat shock protein 90, putative	0.0053	0.0316	0.0525
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0377	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0198	0.0268
Echinococcus granulosus	histone lysine N methyltransferase H3 lysine 36	0.008	0.0661	0.0882
Echinococcus multilocularis	histone lysine N methyltransferase, H3 lysine 36	0.008	0.0661	0.0882
Schistosoma mansoni	hypothetical protein	0.0197	0.2182	0.4042
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Plasmodium vivax	endoplasmin, putative	0.0053	0.0316	0.0447
Plasmodium vivax	heat shock protein, putative	0.0202	0.2246	0.4165
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Leishmania major	heat shock protein 83-1	0.0053	0.0316	0.0525
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.0525	0.0674
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.005	0.0273	0.0443
Leishmania major	hypothetical protein, conserved	0.008	0.0661	0.1185
Echinococcus multilocularis	bromo adjacent y domain containing 1	0.0042	0.0169	0.013
Plasmodium falciparum	endoplasmin, putative	0.0039	0.0126	0.01
Schistosoma mansoni	SET domain protein	0.0082	0.069	0.1168

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 894852