TDR Targets

Basic information

Technical information

TDR Targets ID: 613298
Name: 2-[[2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]a mino]-4,5,6,7-tetrahydro-1-benzothiophene-3-c arboxamide
MW: 367.422 | Formula: C19H17N3O3S
H donors: 3 H acceptors: 4 LogP: 3.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(=Cc1ccc(cc1)O)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
InChi: 1S/C19H17N3O3S/c20-10-12(9-11-5-7-13(23)8-6-11)18(25)22-19-16(17(21)24)14-3-1-2-4-15(14)26-19/h5-9,23H,1-4H2,(H2,21,24)(H,22,25)/b12-9+
InChiKey: FKYAMPRFDCKJCH-FMIVXFBMSA-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

2-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[[2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[(E)-2-cyano-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[2-cyano-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[2-cyano-3-(4-hydroxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[(E)-2-cyano-3-(4-hydroxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
ZINC00941910
STOCK4S-40502

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		0.0036	0.0675	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0763	0.3549
Toxoplasma gondii	ABC1 family protein	0.0036	0.0675	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0675	0.2675
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.2151	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0675	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2151	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.1966	0.9142
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0675	0.2675
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0675	0.2463
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0675	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0675	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0675	0.3139
Echinococcus granulosus	tar DNA binding protein	0.0066	0.2151	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2151	1
Brugia malayi	Bromodomain containing protein	0.004	0.0883	0.3223
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0675	0.2675
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2151	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.2151	0.7848
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0675	0.3139
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0675	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0675	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2151	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0887	0.3513
Brugia malayi	RNA binding protein	0.0066	0.2151	0.7848
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0675	0.2675
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0763	0.3549
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0675	0.2675
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0675	0.5
Brugia malayi	beta-lactamase	0.0036	0.0675	0.2463
Schistosoma mansoni	bromodomain containing protein	0.0066	0.2148	0.9985
Trichomonas vaginalis	esterase, putative	0.0036	0.0675	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0675	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2524	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0675	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.2151	0.8521
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.2151	0.8521
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0086	0.0399
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0675	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0675	0.2675
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.1966	0.9142
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1007	0.3988
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0675	0.5
Onchocerca volvulus		0.0036	0.0675	1
Brugia malayi	PHD-finger family protein	0.0026	0.0206	0.075
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0675	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0675	0.2675
Brugia malayi	beta-lactamase family protein	0.0036	0.0675	0.2463
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1103	0.4371
Leishmania major	hypothetical protein, conserved	0.0036	0.0675	0.5
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0675	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0675	0.5
Brugia malayi	Bromodomain containing protein	0.0078	0.2741	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0086	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0675	0.2675
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0675	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0675	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.0675	0.2463
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2151	1
Loa Loa (eye worm)	RNA binding protein	0.0066	0.2151	0.8521
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0675	0.3139
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0675	0.5
Brugia malayi	TAR-binding protein	0.0066	0.2151	0.7848
Onchocerca volvulus		0.0036	0.0675	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0086	0.0399
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0675	0.3139

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 613298