TDR Targets

Basic information

Technical information

TDR Targets ID: 629369
Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-propan-2-yloxy phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro -1-benzothiophene-3-carboxamide
MW: 439.527 | Formula: C23H25N3O4S
H donors: 2 H acceptors: 3 LogP: 4.52 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(=Cc1ccc(c(c1)OC(C)C)OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
InChi: 1S/C23H25N3O4S/c1-13(2)30-18-11-14(8-9-17(18)29-3)10-15(12-24)22(28)26-23-20(21(25)27)16-6-4-5-7-19(16)31-23/h8-11,13H,4-7H2,1-3H3,(H2,25,27)(H,26,28)/b15-10+
InChiKey: VRWISZLXYLMKEM-XNTDXEJSSA-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-(3-isopropoxy-4-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[(E)-2-cyano-3-(3-isopropoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[(E)-2-cyano-3-(3-isopropoxy-4-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[(E)-2-cyano-3-(4-methoxy-3-propan-2-yloxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0063	0.0132
Brugia malayi	TAR-binding protein	0.013	0.2542	0.5307
Schistosoma mansoni	hypothetical protein	0.0049	0.0772	0.2862
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.1319	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.3073	0.6453
Echinococcus multilocularis	cysteine protease	0.0016	0.0063	0.0133
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1319	0.5065
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0772	0.1622
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0063	0.0065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.1702	0.6611
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0032	0.0068
Entamoeba histolytica	hypothetical protein	0.0035	0.0471	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0063	0.0133
Echinococcus multilocularis	musashi	0.0028	0.0314	0.0663
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0996	0.2108
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.1319	0.0358
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.1319	0.272
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.2769
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.1319	0.0358
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1061	0.7946
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0772	0.1634
Loa Loa (eye worm)	ctsf protein	0.0016	0.0063	0.0132
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1319	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0471	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0302	0.0635
Loa Loa (eye worm)	cysteine protease	0.0016	0.0063	0.0132
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1319	1
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.4725	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.1702	0.6611
Brugia malayi	latrophilin 2 splice variant baaae	0.0105	0.2008	0.4178
Leishmania major	hypothetical protein, conserved	0.0074	0.1319	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.1319	0.279
Loa Loa (eye worm)	hypothetical protein	0.023	0.4725	0.9924
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1319	0.5065
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2542	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.1319	0.2769
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0063	0.0133
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0996	0.3765
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0314	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.2769
Brugia malayi	intermediate filament protein	0.0028	0.0314	0.0595
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.1319	0.0358
Toxoplasma gondii	ABC1 family protein	0.0074	0.1319	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0063	0.0133
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0231	0.4762	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0314	0.0658
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0731	0.1478
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.4725	1
Loa Loa (eye worm)	beta-lactamase	0.0074	0.1319	0.2769
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0996	0.2108
Onchocerca volvulus		0.0074	0.1319	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0063	0.0065
Echinococcus granulosus	tar DNA binding protein	0.013	0.2542	0.5379
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0314	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.2769
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0996	0.7432
Onchocerca volvulus		0.0028	0.0314	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.2769
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.1702	0.3601
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0063	0.5
Brugia malayi	RNA binding protein	0.013	0.2542	0.5307
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0772	0.1634
Brugia malayi	RNA recognition motif domain containing protein	0.013	0.2542	0.5307
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1319	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.1319	0.0358
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1061	0.7946
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.2769
Schistosoma mansoni	mucolipin	0.0059	0.0994	0.3755
Echinococcus multilocularis	cysteine protease	0.0016	0.0063	0.0133
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0772	0.1565
Schistosoma mansoni	hypothetical protein	0.0049	0.0772	0.2862
Loa Loa (eye worm)	hypothetical protein	0.0105	0.2008	0.4217
Loa Loa (eye worm)	fibroinase	0.0016	0.0063	0.0132
Brugia malayi	hypothetical protein	0.023	0.4725	0.9923
Echinococcus multilocularis	tar DNA binding protein	0.013	0.2542	0.5379
Schistosoma mansoni	hypothetical protein	0.0047	0.0731	0.2696
Loa Loa (eye worm)	RNA binding protein	0.013	0.2542	0.5338
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2542	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1319	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0471	1
Onchocerca volvulus		0.0074	0.1319	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0471	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1319	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0063	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0154	0.3073	0.6453
Mycobacterium leprae	Probable lipase LipE	0.0074	0.1319	0.5
Echinococcus granulosus	cathepsin l1	0.0016	0.0063	0.0133
Loa Loa (eye worm)	TAR-binding protein	0.013	0.2542	0.5338
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0063	0.0132
Echinococcus granulosus	lamin	0.0028	0.0314	0.0663
Leishmania major	cathepsin L-like protease	0.0062	0.1061	0.7946
Schistosoma mansoni	hypothetical protein	0.0105	0.2008	0.7846
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2542	1
Echinococcus granulosus	mucolipin 3	0.0064	0.1111	0.2351
Echinococcus multilocularis	lamin dm0	0.0028	0.0314	0.0663
Echinococcus granulosus	GPCR family 2	0.0049	0.0772	0.1634
Brugia malayi	beta-lactamase	0.0074	0.1319	0.272
Loa Loa (eye worm)	mucolipin 1	0.0064	0.1111	0.2333
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1319	0.0358
Echinococcus multilocularis	lamin	0.0028	0.0314	0.0663
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.1702	0.3601
Echinococcus multilocularis	mucolipin 3	0.0064	0.1111	0.2351
Schistosoma mansoni	hypothetical protein	0.0035	0.0471	0.1645
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0314	0.0658
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0063	0.0065
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.1319	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.1702	0.353
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1061	0.7946
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0154	0.3073	0.6429
Brugia malayi	Coelomocyte uptake defective protein 5	0.0064	0.1111	0.2281
Schistosoma mansoni	mucolipin	0.0064	0.1111	0.4228
Schistosoma mansoni	hypothetical protein	0.0049	0.0772	0.2862
Schistosoma mansoni	hypothetical protein	0.0049	0.0772	0.2862
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0063	0.0065
Leishmania major	cathepsin L-like protease	0.0062	0.1061	0.7946
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0771	0.564
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.1702	0.6611
Schistosoma mansoni	lamin	0.0028	0.0314	0.1012
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.1702	0.3601
Brugia malayi	beta-lactamase family protein	0.0074	0.1319	0.272
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.013	0.2542	0.5338
Brugia malayi	follicle stimulating hormone receptor	0.0231	0.4762	1
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1319	0.0358
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0063	0.0065
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0063	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0772	0.1634
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0772	0.1634
Entamoeba histolytica	hypothetical protein	0.0035	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.2769
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.1319	0.0358
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2542	1
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.1319	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.1319	0.0358
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0772	0.1634
Mycobacterium ulcerans	lipase LipD	0.0074	0.1319	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0996	0.7432
Mycobacterium ulcerans	hypothetical protein	0.0074	0.1319	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0471	0.0996
Onchocerca volvulus		0.0047	0.0731	0.5322
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1319	0.0358
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.1319	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0996	0.3765
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.1319	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0471	0.1645
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0063	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0772	0.1622
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1319	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0063	0.0133
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.1702	0.3601
Brugia malayi	beta-lactamase family protein	0.0074	0.1319	0.272
Onchocerca volvulus		0.0028	0.0314	0.1997
Onchocerca volvulus		0.0074	0.1319	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0063	0.0133
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0154	0.3073	0.6429
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0063	0.0065
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.1319	0.0358
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1319	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0063	0.0065
Brugia malayi	hypothetical protein	0.0035	0.0471	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0314	0.0658
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.1319	0.279
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.1061	0.7946
Leishmania major	cathepsin L-like protease	0.0062	0.1061	0.7946
Mycobacterium ulcerans	beta-lactamase	0.0074	0.1319	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0731	0.2696
Trichomonas vaginalis	esterase, putative	0.0074	0.1319	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.0314	0.0663
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0063	0.0133
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2542	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0943	0.7011
Schistosoma mansoni	lamin	0.0028	0.0314	0.1012
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0772	0.1565
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.1702	0.3574
Echinococcus granulosus	lamin dm0	0.0028	0.0314	0.0663

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 629369