TDR Targets

Basic information

Technical information

TDR Targets ID: 901238
Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-[(4-eth ylphenyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3,4 -dihydro-1H-pyridine-3-carboxylate
MW: 497.994 | Formula: C25H24ClN3O4S
H donors: 2 H acceptors: 4 LogP: 4.37 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)CC
InChi: 1S/C25H24ClN3O4S/c1-3-15-9-11-16(12-10-15)28-20(30)14-34-24-18(13-27)21(17-7-5-6-8-19(17)26)22(23(31)29-24)25(32)33-4-2/h5-12,21-22H,3-4,14H2,1-2H3,(H,28,30)(H,29,31)
InChiKey: CAGLRNRFHYDRJF-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 4-(2-chlorophenyl)-5-cyano-6-[2-[(4-ethylphenyl)amino]-2-oxo-ethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
4-(2-chlorophenyl)-5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester
4-(2-chlorophenyl)-5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-keto-ethyl]thio]-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester
Oprea1_203357
STOCK2S-58979
ChemDiv1_028605
Oprea1_608024

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
Entamoeba histolytica	hypothetical protein	0.0111	0.1104	0.5
Brugia malayi	TAR-binding protein	0.0064	0.0435	0.0435
Echinococcus multilocularis	jun protein	0.0267	0.3301	0.478
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0435	0.063
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0199	0.0199
Brugia malayi	bZIP transcription factor family protein	0.0267	0.3301	0.3301
Entamoeba histolytica	hypothetical protein	0.0111	0.1104	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0199	0.0288
Loa Loa (eye worm)	hypothetical protein	0.026	0.3198	0.3198
Brugia malayi	Steroid receptor seven-up type 2	0.0102	0.0979	0.0979
Schistosoma mansoni	hypothetical protein	0.0035	0.0032	0.0046
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0435	0.063
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0435	0.063
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.1327	0.1327
Schistosoma mansoni	hypothetical protein	0.0523	0.6905	1
Echinococcus granulosus	jun protein	0.0267	0.3301	0.478
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0199	0.0288
Leishmania major	hypothetical protein, conserved	0.0078	0.0636	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0199	0.0288
Entamoeba histolytica	hypothetical protein	0.0111	0.1104	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0636	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0199	0.0288
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0102	0.0979	0.1418
Schistosoma mansoni	hypothetical protein	0.0217	0.2596	0.376
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0435	0.063
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0267	0.3301	0.478
Toxoplasma gondii	LsmAD domain-containing protein	0.0078	0.0636	1
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0435	0.0435
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0199	0.0288
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0435	0.063
Schistosoma mansoni	hypothetical protein	0.0523	0.6905	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0111	0.1104	0.1599
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0199	0.0288
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0267	0.3301	0.478
Loa Loa (eye worm)	pax transcription factor protein 2	0.0743	1	1
Brugia malayi	MH2 domain containing protein	0.0127	0.1327	0.1327
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.1327	0.1327
Echinococcus multilocularis	geminin	0.0523	0.6905	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0199	0.0288
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0435	0.0435
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0035	0.0032	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0636	0.0636
Loa Loa (eye worm)	nuclear hormone receptor	0.0097	0.0902	0.0902
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0435	0.0435
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0035	0.0032	0.0046
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0435	0.063
Schistosoma mansoni	jun-related protein	0.0217	0.2596	0.376
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0102	0.0979	0.1418
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0435	0.0435
Plasmodium vivax	ataxin-2 like protein, putative	0.0078	0.0636	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0033	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0435	0.063
Loa Loa (eye worm)	hypothetical protein	0.0097	0.091	0.091
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0636	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0636	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0078	0.0636	1
Schistosoma mansoni	transcription factor LCR-F1	0.0111	0.1104	0.1599
Schistosoma mansoni	hypothetical protein	0.0111	0.1104	0.1599
Brugia malayi	hypothetical protein	0.005	0.0248	0.0248
Entamoeba histolytica	hypothetical protein	0.0111	0.1104	0.5
Brugia malayi	hypothetical protein	0.021	0.2493	0.2493
Echinococcus granulosus	geminin	0.0523	0.6905	1
Brugia malayi	RNA binding protein	0.0064	0.0435	0.0435
Brugia malayi	hypothetical protein	0.0078	0.0636	0.0636
Brugia malayi	hypothetical protein	0.0111	0.1104	0.1104
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0199	0.0199
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0636	1
Onchocerca volvulus		0.0743	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0111	0.1104	0.1599

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 901238