TDR Targets

Basic information

Technical information

TDR Targets ID: 631884
Name: ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)ami no]-4,5,6,7-tetrahydro-1-benzothiophene-3-car boxylate
MW: 366.475 | Formula: C18H26N2O4S
H donors: 1 H acceptors: 2 LogP: 3.24 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC(C2)C
InChi: 1S/C18H26N2O4S/c1-3-24-18(22)16-13-5-4-12(2)10-14(13)25-17(16)19-15(21)11-20-6-8-23-9-7-20/h12H,3-11H2,1-2H3,(H,19,21)
InChiKey: OIUCVSKUIBLACK-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

ethyl 6-methyl-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
6-methyl-2-[(2-morpholino-1-oxoethyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
6-methyl-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
ethyl 6-methyl-2-(2-morpholin-4-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
76981-93-6
BRN 5619311
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester
A2205/0092866
BAS 03754819

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
Onchocerca volvulus		0.0041	0.0128	0.0128
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0128	0.0354
Mycobacterium ulcerans	hypothetical protein	0.0456	0.3633	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.016	0.044
Mycobacterium ulcerans	putative transglutaminase-like protein	0.0456	0.3633	1
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0128	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0128	0.1196
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0128	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1073	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0128	0.0354
Loa Loa (eye worm)	carboxylesterase	0.0153	0.1073	1
Echinococcus multilocularis	Transglutaminase	0.0456	0.3633	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.016	0.1487
Brugia malayi	Carboxylesterase family protein	0.0153	0.1073	0.2955
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0164	0.1162	0.3199
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0041	0.0128	0.0354
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0128	0.0354
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0128	0.1196
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.016	0.044
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0041	0.0128	0.0354
Mycobacterium leprae	Conserved hypothetical protein	0.0456	0.3633	1
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0128	0.5
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0128	0.0354
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0262	0.1997	0.5496
Brugia malayi	hypothetical protein	0.0097	0.0597	0.1644
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.016	0.044
Onchocerca volvulus		0.0041	0.0128	0.0128
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0303	0.0834
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.016	0.044
Echinococcus granulosus	Transglutaminase	0.0456	0.3633	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0303	0.0834
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0128	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0303	1
Mycobacterium tuberculosis	Long conserved protein	0.0456	0.3633	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0153	0.1073	0.2955
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0128	0.0354
Onchocerca volvulus		0.0041	0.0128	0.0128
Echinococcus granulosus	acetylcholinesterase	0.0153	0.1073	0.2955
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0303	0.0834
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0128	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0041	0.0128	0.0354
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0128	0.0354
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0456	0.3633	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0128	0.0354
Echinococcus granulosus	carboxylesterase 5A	0.0153	0.1073	0.2955
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0128	0.1196
Loa Loa (eye worm)	acetylcholinesterase 1	0.0153	0.1073	1
Echinococcus multilocularis	acetylcholinesterase	0.0153	0.1073	0.2955
Trichomonas vaginalis	esterase, putative	0.0041	0.0128	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0128	0.1196
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0128	0.1196
Mycobacterium tuberculosis	Probable esterase LipL	0.0041	0.0128	0.0354
Brugia malayi	Thioredoxin family protein	0.0456	0.3633	1
Mycobacterium tuberculosis	Probable hydrolase	0.0041	0.0128	0.0354
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0128	0.0354
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.016	0.044
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0128	0.1196
Brugia malayi	beta-lactamase family protein	0.0041	0.0128	0.0354
Brugia malayi	beta-lactamase family protein	0.0041	0.0128	0.0354
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0303	0.0834
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0128	0.0354
Schistosoma mansoni	eyes absent homolog	0.0097	0.0597	0.1644
Echinococcus granulosus	acetylcholinesterase	0.0153	0.1073	0.2955
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0128	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0597	0.5564
Mycobacterium ulcerans	lipase LipD	0.0041	0.0128	0.0354
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0456	0.3633	1
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0128	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0128	0.1196
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0303	1
Mycobacterium tuberculosis	Conserved protein	0.0456	0.3633	1
Mycobacterium leprae	Conserved hypothetical protein	0.0456	0.3633	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0041	0.0128	0.0354
Trichomonas vaginalis	peptide N-glycanase, putative	0.0456	0.3633	1
Mycobacterium ulcerans	hypothetical protein	0.0456	0.3633	1
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1073	1
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0128	0.0354
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.016	0.044
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0303	0.0834
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0164	0.1162	0.3199
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0303	0.0834
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0128	0.0354
Brugia malayi	beta-lactamase	0.0041	0.0128	0.0354
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0303	0.0834
Mycobacterium tuberculosis	Probable lipase LipE	0.0041	0.0128	0.0354
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0303	0.0834
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0597	0.5564
Giardia lamblia	Transglutaminase/protease, putative	0.0456	0.3633	0.5
Mycobacterium ulcerans	transglutaminase family protein	0.0456	0.3633	1
Giardia lamblia	Hypothetical protein	0.0456	0.3633	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.016	0.044
Brugia malayi	Carboxylesterase family protein	0.0153	0.1073	0.2955
Schistosoma mansoni	hypothetical protein	0.0456	0.3633	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0128	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0128	0.1196
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0128	0.0354
Echinococcus multilocularis	carboxylesterase 5A	0.0153	0.1073	0.2955
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.016	0.044
Mycobacterium tuberculosis	Hypothetical protein	0.0456	0.3633	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0128	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0153	0.1073	0.2955

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 631884