TDR Targets

Basic information

Technical information

TDR Targets ID: 764531
Name: 3-[(2-methoxy-4-nitrophenyl)amino]-3H-2-benzo furan-1-one
MW: 300.266 | Formula: C15H12N2O5
H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1NC1OC(=O)c2c1cccc2)[N+](=O)[O-]
InChi: 1S/C15H12N2O5/c1-21-13-8-9(17(19)20)6-7-12(13)16-14-10-4-2-3-5-11(10)15(18)22-14/h2-8,14,16H,1H3
InChiKey: FPOCCEURNADLDU-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-[(2-methoxy-4-nitro-phenyl)amino]-3H-isobenzofuran-1-one
3-[(2-methoxy-4-nitrophenyl)amino]-3H-isobenzofuran-1-one
3-[(2-methoxy-4-nitro-phenyl)amino]-3H-2-benzofuran-1-one
STOCK3S-49641
EU-0048399

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	conserved hypothetical protein	0.004	0.0095	0.1557
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0118	0.1962
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0103	0.058	0.1186
Mycobacterium leprae	Possible regulatory protein	0.0103	0.058	0.5
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0335	0.0685
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0103	0.058	0.1186
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0084	0.0171
Schistosoma mansoni	sodium-bile acid cotransporter	0.0396	0.2819	0.577
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0154	0.0314
Onchocerca volvulus		0.0666	0.4886	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0285	0.0285
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0039	0.0084	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0335	0.5738
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.058	1
Echinococcus multilocularis	neuropeptide s receptor	0.0474	0.3414	0.6988
Echinococcus multilocularis	sodium bile acid cotransporter	0.0666	0.4886	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0039	0.0084	0.0171
Brugia malayi	MH2 domain containing protein	0.0125	0.0741	0.0741
Brugia malayi	PAS domain containing protein	0.0398	0.2832	0.2832
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0084	0.0084
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0103	0.058	0.2392
Brugia malayi	chromobox protein homolog 3	0.004	0.0095	0.0095
Mycobacterium ulcerans	putative regulatory protein	0.0294	0.2041	1
Leishmania major	protein kinase, putative	0.0103	0.058	0.2392
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0103	0.058	0.2392
Leishmania major	protein kinase, putative	0.0103	0.058	0.2392
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.058	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0122	0.0183
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0285	0.0285
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0309	0.2157	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.0084	0.1364
Echinococcus granulosus	aryl hydrocarbon receptor	0.0103	0.058	0.1186
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0039	0.0084	0.0171
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.0909	0.3983
Echinococcus granulosus	neuropeptide receptor A26	0.0474	0.3414	0.6988
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0103	0.058	0.2392
Onchocerca volvulus		0.0103	0.058	0.1186
Schistosoma mansoni	chromobox protein	0.0071	0.0335	0.0685
Schistosoma mansoni	aryl hydrocarbon receptor	0.0398	0.2832	0.5797
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0103	0.058	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0103	0.058	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0084	0.1364
Schistosoma mansoni	hypothetical protein	0.0036	0.0061	0.0124
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0084	0.0171
Leishmania major	mitochondrial DNA polymerase beta	0.0309	0.2157	1
Brugia malayi	Heterochromatin protein 1	0.0071	0.0335	0.0335
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0273	0.0914
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0273	0.0559
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0194	0.0534
Onchocerca volvulus		0.0294	0.2041	0.4178
Onchocerca volvulus		0.0031	0.0029	0.0059
Echinococcus granulosus	ubiquitin specific protease 41	0.0039	0.0084	0.0171
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0285	0.0584
Echinococcus granulosus	neuropeptide s receptor	0.0474	0.3414	0.6988
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0154	0.0314
Brugia malayi	RNA binding protein	0.0065	0.0285	0.0285
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0273	0.0559
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0095	0.1557
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0154	0.0314
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0154	0.0314
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0039	0.0084	0.5
Echinococcus granulosus	sodium bile acid cotransporter	0.0666	0.4886	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0273	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0122	0.0183
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0103	0.058	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0273	0.0559
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.1036	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0285	0.0584
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0095	0.0194
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0154	0.0314
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0186	0.0186
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0061	0.0061
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0103	0.058	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.0741	0.0741
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.0909	0.3983
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0103	0.058	0.1186
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0186	0.0186
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.2157	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0103	0.058	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0335	0.0335
Schistosoma mansoni	sodium-bile acid cotransporter related	0.027	0.1856	0.3798
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0666	0.4886	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0285	0.0584
Echinococcus multilocularis	sodium bile acid cotransporter	0.0666	0.4886	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0061	0.0061
Mycobacterium ulcerans	hypothetical protein	0.0163	0.1036	0.4314
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0154	0.0154
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0186	0.0186
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0335	0.0685
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0103	0.058	0.058
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0084	0.0171
Echinococcus granulosus	chromobox protein 1	0.0071	0.0335	0.0685
Echinococcus granulosus	chromobox protein 1	0.0071	0.0335	0.0685
Brugia malayi	hypoxia-induced factor 1	0.1231	0.9209	0.9209
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0285	0.0584
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0285	0.0584
Loa Loa (eye worm)	hypoxia-induced factor 1	0.1231	0.9209	0.9209
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0154	0.0314
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0103	0.058	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0029	0.0029
Echinococcus granulosus	sodium bile acid cotransporter	0.0666	0.4886	1
Brugia malayi	Sodium Bile acid symporter family protein	0.0666	0.4886	0.4886
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0103	0.058	0.2392
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0154	0.0314
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0285	0.0584
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0103	0.058	0.2392
Echinococcus multilocularis	neuropeptide receptor A26	0.0474	0.3414	0.6988
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0084	0.0171
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0122	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0186	0.0186
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.0084	0.1364
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.058	1
Echinococcus multilocularis	sodium bile acid cotransporter	0.0666	0.4886	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.0909	0.3983
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0103	0.058	0.058
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0103	0.058	0.2392
Brugia malayi	TAR-binding protein	0.0065	0.0285	0.0285
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0118	0.1962
Trichomonas vaginalis	adenylate cyclase, putative	0.0103	0.058	1
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0335	0.5738
Schistosoma mansoni	chromobox protein	0.0071	0.0335	0.0685
Loa Loa (eye worm)	hypothetical protein	0.1334	1	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0118	0.0242
Echinococcus multilocularis	transfer RNA-Lys	0.0294	0.2041	0.4178
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0285	0.0584
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0103	0.058	1
Echinococcus granulosus	single minded 2	0.0294	0.2041	0.4178
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0285	0.0285
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.2157	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0273	0.0559
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0039	0.0084	0.0171
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0039	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.004	0.0095	0.0095
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0666	0.4886	0.4886
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0122	0.0183
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0103	0.058	0.2392
Trichomonas vaginalis	guanylate cyclase, putative	0.0103	0.058	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0154	0.0154
Schistosoma mansoni	single-minded	0.0398	0.2832	0.5797
Brugia malayi	bHLH-PAS transcription factor	0.0294	0.2041	0.2041
Echinococcus granulosus	sodium bile acid cotransporter	0.0666	0.4886	1

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 764531