TDR Targets

Basic information

Technical information

TDR Targets ID: 797325
Name: ethyl 2-acetamido-7-chloro-6-(hydroxyiminomet hyl)-1-benzothiophene-3-carboxylate
MW: 340.782 | Formula: C14H13ClN2O4S
H donors: 2 H acceptors: 3 LogP: 3.57 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1c(NC(=O)C)sc2c1ccc(c2Cl)C=NO
InChi: 1S/C14H13ClN2O4S/c1-3-21-14(19)10-9-5-4-8(6-16-20)11(15)12(9)22-13(10)17-7(2)18/h4-6,20H,3H2,1-2H3,(H,17,18)/b16-6+
InChiKey: XGIACSOYPQZQSD-OMCISZLKSA-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

ethyl 2-acetamido-7-chloro-6-[(E)-hydroxyiminomethyl]-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-7-chloro-6-(hydroxyiminomethyl)benzothiophene-3-carboxylate
ethyl 2-acetamido-7-chloro-6-[(E)-hydroxyiminomethyl]benzothiophene-3-carboxylate
2-acetamido-7-chloro-6-(hydroxyiminomethyl)-3-benzothiophenecarboxylic acid ethyl ester
2-acetamido-7-chloro-6-[(E)-hydroxyiminomethyl]-3-benzothiophenecarboxylic acid ethyl ester
2-acetamido-7-chloro-6-(hydroximinomethyl)benzothiophene-3-carboxylic acid ethyl ester
2-acetamido-7-chloro-6-[(E)-hydroximinomethyl]benzothiophene-3-carboxylic acid ethyl ester
BAS 01022424
A2186/0091930
Oprea1_846465
Oprea1_116013

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
Toxoplasma gondii	PAN domain-containing protein	0.0032	0.0165	0.0509
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0165	0.0165
Onchocerca volvulus		0.0032	0.0165	0.4489
Brugia malayi	Presenilin spe-4	0.0062	0.0508	0.0508
Brugia malayi	Presenilin spe-4	0.0062	0.0508	0.0508
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0178	0.1831	0.4856
Onchocerca volvulus		0.0032	0.0165	0.4489
Toxoplasma gondii	PAN domain-containing protein	0.0032	0.0165	0.0509
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Brugia malayi	hypothetical protein	0.0087	0.0787	0.0787
Toxoplasma gondii	microneme protein MIC17A	0.0032	0.0165	0.0509
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0367	0.0973
Echinococcus granulosus	Nicastrin	0.0087	0.0787	0.0787
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Loa Loa (eye worm)	TK/ROR protein kinase	0.005	0.0367	0.0367
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Echinococcus multilocularis	tissue type plasminogen activator	0.005	0.0367	0.0367
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Toxoplasma gondii	PAN domain-containing protein	0.0302	0.3238	1
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0178	0.1831	0.4856
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0178	0.1831	1
Onchocerca volvulus		0.0032	0.0165	0.4489
Brugia malayi	hypothetical protein	0.0087	0.0787	0.0787
Toxoplasma gondii	hypothetical protein	0.005	0.037	0.1142
Toxoplasma gondii	kringle domain-containing protein	0.005	0.0367	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0165
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0165	0.0165
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0165	0.0165
Onchocerca volvulus		0.0032	0.0165	0.4489
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0124	0.121	0.121
Trypanosoma brucei	Nicastrin, putative	0.0032	0.0159	0.0423
Brugia malayi	Presenilin spe-4	0.0062	0.0508	0.0508
Brugia malayi	Variant SH3 domain containing protein	0.0124	0.121	0.121
Loa Loa (eye worm)	presenilin spe-4	0.0062	0.0508	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0165
Leishmania major	hypothetical protein, conserved	0.005	0.0367	0.2003
Onchocerca volvulus		0.0032	0.0165	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0165
Echinococcus multilocularis	presenilin	0.0178	0.1831	0.1831
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0178	0.1831	1
Onchocerca volvulus		0.0032	0.0165	0.4489
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0894	1	1
Schistosoma mansoni	hypothetical protein	0.0087	0.0787	0.0437
Echinococcus multilocularis	Nicastrin	0.0087	0.0787	0.0787
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0165
Toxoplasma gondii	subtilisin SUB12	0.0032	0.0165	0.0509
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Echinococcus granulosus	presenilin	0.0178	0.1831	0.1831
Trypanosoma brucei	Aph-1 protein, putative	0.0348	0.3771	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0165
Brugia malayi	hypothetical protein	0.0062	0.0508	0.0508
Toxoplasma gondii	PAN domain-containing protein	0.0302	0.3238	1
Echinococcus granulosus	nicalin	0.0032	0.0159	0.0159
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Echinococcus multilocularis	Nicastrin	0.0087	0.0787	0.0787
Brugia malayi	hypothetical protein	0.0062	0.0508	0.0508
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0032	0.0165	0.0509
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0165	0.0165
Onchocerca volvulus		0.0032	0.0165	0.4489
Brugia malayi	Kringle domain containing protein	0.005	0.0367	0.0367
Brugia malayi	Protein kinase domain containing protein	0.005	0.0367	0.0367
Echinococcus multilocularis	nicalin	0.0032	0.0159	0.0159
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0178	0.1831	0.4856
Toxoplasma gondii	PAN domain-containing protein	0.0032	0.0165	0.0509
Brugia malayi	Presenilin family protein	0.0178	0.1831	0.1831
Toxoplasma gondii	microneme protein MIC17C	0.0032	0.0165	0.0509
Onchocerca volvulus		0.0032	0.0165	0.4489
Echinococcus granulosus	tissue type plasminogen activator	0.005	0.0367	0.0367
Echinococcus multilocularis	presenilin enhancer 2	0.0167	0.1706	0.1706
Trypanosoma cruzi	Nicastrin, putative	0.0032	0.0159	0.0423
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Toxoplasma gondii	microneme protein MIC4	0.0032	0.0165	0.0509
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0178	0.1831	1
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0167	0.1706	0.1706
Toxoplasma gondii	microneme protein MIC17B	0.0032	0.0165	0.0509
Brugia malayi	PAN domain containing protein	0.0032	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0787	0.0787
Toxoplasma gondii	microneme protein, putative	0.0032	0.0165	0.0509
Trypanosoma cruzi	Nicastrin, putative	0.0032	0.0159	0.0423
Brugia malayi	Presenilin-like protein At2g29900	0.0062	0.0508	0.0508
Trypanosoma cruzi	Aph-1 protein, putative	0.0348	0.3771	1
Toxoplasma gondii	hypothetical protein	0.0032	0.0165	0.0509
Brugia malayi	gamma-secretase subunit pen-2	0.0167	0.1706	0.1706
Onchocerca volvulus		0.005	0.0367	1
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0032	0.0165	0.0509
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0178	0.1831	0.152
Loa Loa (eye worm)	hypothetical protein	0.005	0.0367	0.0367
Leishmania major	hypothetical protein, conserved	0.005	0.037	0.202
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0165
Onchocerca volvulus		0.0032	0.0165	0.4489
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0894	1	1
Onchocerca volvulus		0.0032	0.0165	0.4489
Onchocerca volvulus		0.0032	0.0165	0.4489
Brugia malayi	hypothetical protein	0.0062	0.0508	0.0508
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0178	0.1831	1
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0178	0.1831	1
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.005	0.0367	0.5
Trypanosoma brucei	Presenilin enhancer-2 subunit of gamma secretase, putative	0.005	0.037	0.0981
Plasmodium falciparum	cysteine repeat modular protein 1	0.005	0.0367	0.5
Echinococcus granulosus	presenilin enhancer 2	0.0167	0.1706	0.1706
Toxoplasma gondii	PAN domain-containing protein	0.0032	0.0165	0.0509
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0894	1	1
Trypanosoma cruzi	Aph-1 protein, putative	0.0348	0.3771	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0165
Toxoplasma gondii	hypothetical protein	0.0032	0.0165	0.0509
Toxoplasma gondii	hypothetical protein	0.0062	0.0508	0.1569
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0165	0.0165
Echinococcus granulosus	gamma secretase subunit aph 1	0.0894	1	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 797325