TDR Targets

Basic information

Technical information

TDR Targets ID: 617740
Name: ethyl 3-cyano-2-[3-(phenoxy)propanoylamino]-5 ,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxy late
MW: 399.463 | Formula: C20H21N3O4S
H donors: 1 H acceptors: 3 LogP: 3.12 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCc2c(C1)sc(c2C#N)NC(=O)CCOc1ccccc1
InChi: 1S/C20H21N3O4S/c1-2-26-20(25)23-10-8-15-16(12-21)19(28-17(15)13-23)22-18(24)9-11-27-14-6-4-3-5-7-14/h3-7H,2,8-11,13H2,1H3,(H,22,24)
InChiKey: WTNJBEUIQMSFLF-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-cyano-2-[[1-oxo-3-(phenoxy)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
3-cyano-2-[3-(phenoxy)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
ZINC04280349

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
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0397	0.6955
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.2105	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0397	0.0392
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0383	0.0374
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0906	0.1013
Schistosoma mansoni	chromobox protein	0.0069	0.2105	0.2473
Trichomonas vaginalis	esterase, putative	0.0035	0.0397	0.1886
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.0538	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0906	0.1013
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0096	0.3491	0.3222
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.2105	0.2473
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.072	0.3419
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0383	0.0374
Brugia malayi	RNA binding protein	0.019	0.828	1
Onchocerca volvulus		0.003	0.0149	0.1137
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0383	0.0374
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0397	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.3491	0.3222
Brugia malayi	beta-lactamase family protein	0.0035	0.0397	0.0392
Leishmania major	trypanothione reductase	0.0038	0.0538	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0397	0.1886
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0322	0.0301
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0397	0.0392
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0397	0.0392
Echinococcus multilocularis	chromobox protein 1	0.0069	0.2105	0.2473
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.2415	0.2851
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0571	0.0604
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0397	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0397	0.0392
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0906	0.1013
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0397	0.0392
Loa Loa (eye worm)	TAR-binding protein	0.019	0.828	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0397	0.0392
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0383	0.0374
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0086	0.3001	0.2712
Loa Loa (eye worm)	hypothetical protein	0.003	0.0149	0.0089
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0571	0.2714
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0538	1
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0647	0.0697
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0397	0.0392
Brugia malayi	jmjC domain containing protein	0.0035	0.0383	0.0374
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0571	0.2714
Mycobacterium tuberculosis	Probable reductase	0.0086	0.3001	0.2712
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1112	0.1263
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0538	1
Onchocerca volvulus		0.0035	0.0397	0.4992
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0397	0.1886
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0397	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0538	0.0564
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1112	0.1263
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0564	0.0595
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1112	0.1263
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.019	0.828	1
Schistosoma mansoni	tar DNA-binding protein	0.019	0.828	1
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0397	0.5
Schistosoma mansoni	chromobox protein	0.0069	0.2105	0.2473
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0397	0.0392
Echinococcus multilocularis	tar DNA binding protein	0.019	0.828	1
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.4684	0.5616
Schistosoma mansoni	hypothetical protein	0.0034	0.0322	0.0301
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0397	0.0392
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.3398	0.4049
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0397	0.0392
Brugia malayi	Heterochromatin protein 1	0.0069	0.2105	0.2473
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0538	1
Loa Loa (eye worm)	RNA binding protein	0.019	0.828	1
Schistosoma mansoni	tar DNA-binding protein	0.019	0.828	1
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0538	0.0564
Plasmodium falciparum	glutathione reductase	0.0038	0.0538	1
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0647	0.0697
Echinococcus multilocularis	chromobox protein 1	0.0069	0.2105	0.2473
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0906	0.1013
Brugia malayi	Thioredoxin reductase	0.0038	0.0538	0.0564
Mycobacterium ulcerans	lipase LipD	0.0035	0.0397	0.5
Toxoplasma gondii	ABC1 family protein	0.0035	0.0397	0.6955
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0564	0.0595
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0086	0.3001	0.2712
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0086	0.3001	0.2712
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.163	0.1895
Echinococcus granulosus	chromobox protein 1	0.0069	0.2105	0.2473
Giardia lamblia	PHD finger protein 15	0.0029	0.0075	0.5
Schistosoma mansoni	tar DNA-binding protein	0.019	0.828	1
Brugia malayi	TAR-binding protein	0.019	0.828	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0096	0.3491	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.2105	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0397	0.1886
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0397	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1119	0.1271
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0086	0.3001	0.8418
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0322	0.0301
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0906	0.1013
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.072	1
Onchocerca volvulus		0.0035	0.0397	0.4992
Brugia malayi	chromobox protein homolog 3	0.0039	0.0571	0.0604
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0538	0.0147
Brugia malayi	MH2 domain containing protein	0.012	0.4684	0.5616
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0397	0.1886
Brugia malayi	beta-lactamase	0.0035	0.0397	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0397	0.0392
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0571	0.7695
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0397	0.1886
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1112	0.1263
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0397	0.0392
Echinococcus granulosus	chromobox protein 1	0.0069	0.2105	0.2473
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0538	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0096	0.3491	0.3222
Schistosoma mansoni	tar DNA-binding protein	0.019	0.828	1
Trypanosoma brucei	trypanothione reductase	0.0038	0.0538	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0383	0.0374
Brugia malayi	jmjC domain containing protein	0.0094	0.3398	0.4049
Schistosoma mansoni	tar DNA-binding protein	0.019	0.828	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0086	0.3001	0.2712
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.3398	0.4049
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0086	0.3001	0.2712
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0906	0.1013
Echinococcus granulosus	tar DNA binding protein	0.019	0.828	1
Onchocerca volvulus		0.0035	0.0397	0.4992
Brugia malayi	beta-lactamase family protein	0.0035	0.0397	0.0392
Brugia malayi	glutathione reductase	0.0038	0.0538	0.0564
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0906	0.1013
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0906	0.1013
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0906	0.1013
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.072	0.3419
Brugia malayi	RNA recognition motif domain containing protein	0.019	0.828	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.4684	0.5616

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 617740