TDR Targets

Basic information

Technical information

TDR Targets ID: 906936
Name: propyl 2-[[3-cyano-4-(2,4-dichlorophenyl)-6-o xo-4,5-dihydro-1H-pyridin-2-yl]sulfanyl]aceta te
MW: 399.292 | Formula: C17H16Cl2N2O3S
H donors: 1 H acceptors: 3 LogP: 3.62 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1Cl)Cl
InChi: 1S/C17H16Cl2N2O3S/c1-2-5-24-16(23)9-25-17-13(8-20)12(7-15(22)21-17)11-4-3-10(18)6-14(11)19/h3-4,6,12H,2,5,7,9H2,1H3,(H,21,22)
InChiKey: MKLJQIQTNOJTIH-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

2-[[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-4,5-dihydro-1H-pyridin-2-yl]thio]acetic acid propyl ester
2-[[3-cyano-4-(2,4-dichlorophenyl)-6-keto-4,5-dihydro-1H-pyridin-2-yl]thio]acetic acid propyl ester
propyl 2-[[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-4,5-dihydro-1H-pyridin-2-yl]sulfanyl]ethanoate
Oprea1_630413
STOCK2S-11320
Oprea1_056451

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
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0116	0.0637	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0407	0.2963	0.3499
Schistosoma mansoni	hypothetical protein	0.0407	0.2963	0.3499
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0885	0.0885
Loa Loa (eye worm)	TAR-binding protein	0.1095	0.8467	0.8467
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0014	0.0014
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0327	0.5027
Brugia malayi	latrophilin 2 splice variant baaae	0.0879	0.6743	0.6743
Brugia malayi	isocitrate dehydrogenase	0.0116	0.0637	0.0637
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0327	0.5027
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0014	0.0014
Brugia malayi	MH1 domain containing protein	0.0045	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0879	0.6743	0.6743
Trichomonas vaginalis	replication factor C large subunit, putative	0.0039	0.0014	0.5
Echinococcus multilocularis	nibrin	0.0039	0.0014	0.0016
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.007	0.007
Echinococcus granulosus	replication factor c subunit 1	0.0039	0.0014	0.0016
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1287	1	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.0039	0.0014	0.0016
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0116	0.0637	1
Brugia malayi	hypothetical protein	0.005	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0014	0.0014
Schistosoma mansoni	topbp1	0.0039	0.0014	0.0016
Brugia malayi	DKFZp564C0469 protein	0.0039	0.0014	0.0014
Brugia malayi	Isocitrate dehydrogenase	0.0116	0.0637	0.0637
Brugia malayi	hypothetical protein	0.0078	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0364	0.2618	0.2618
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0327	0.0327
Schistosoma mansoni	tar DNA-binding protein	0.1095	0.8467	1
Loa Loa (eye worm)	RNA binding protein	0.1095	0.8467	0.8467
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0014	0.0014
Schistosoma mansoni	hypothetical protein	0.0879	0.6743	0.7964
Brugia malayi	Pax transcription activation domain interacting protein	0.0039	0.0014	0.0014
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0116	0.0637	0.5
Brugia malayi	hypothetical protein	0.0039	0.0014	0.0014
Loa Loa (eye worm)	MH2 domain-containing protein	0.1207	0.9367	0.9367
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0116	0.0637	0.0752
Schistosoma mansoni	DNA ligase IV	0.0039	0.0014	0.0016
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0039	0.0014	0.0014
Schistosoma mansoni	tar DNA-binding protein	0.1095	0.8467	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0116	0.0637	1
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0364	0.043
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0014	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0082	0.0364	0.043
Brugia malayi	Latrophilin receptor protein 2	0.0407	0.2963	0.2963
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0116	0.0637	1
Loa Loa (eye worm)	nuclear factor I	0.0045	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0407	0.2963	0.3499
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0039	0.0014	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0116	0.0637	1
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0364	0.043
Echinococcus granulosus	tar DNA binding protein	0.1095	0.8467	1
Echinococcus granulosus	nibrin	0.0039	0.0014	0.0016
Schistosoma mansoni	smad	0.0082	0.0364	0.043
Brugia malayi	topoisomerase	0.0039	0.0014	0.0014
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0364	0.043
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0014	0.0014
Brugia malayi	Smad1	0.0082	0.0364	0.0364
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0116	0.0637	0.0752
Brugia malayi	MH1 domain containing protein	0.0045	0.007	0.007
Brugia malayi	MH2 domain containing protein	0.0082	0.0364	0.0364
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0039	0.0014	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0407	0.2963	0.2963
Brugia malayi	RNA binding protein	0.1095	0.8467	0.8467
Brugia malayi	MH2 domain containing protein	0.0082	0.0364	0.0364
Brugia malayi	RNA recognition motif domain containing protein	0.1095	0.8467	0.8467
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0116	0.0637	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0082	0.0364	0.043
Echinococcus granulosus	Smad4	0.0082	0.0364	0.043
Brugia malayi	TAR-binding protein	0.1095	0.8467	0.8467
Onchocerca volvulus		0.0039	0.0014	0.0053
Schistosoma mansoni	hypothetical protein	0.0407	0.2963	0.3499
Schistosoma mansoni	tar DNA-binding protein	0.1095	0.8467	1
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0039	0.0014	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0116	0.0637	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0078	0.0327	0.5027
Chlamydia trachomatis	DNA ligase	0.0039	0.0014	0.5
Brugia malayi	hypothetical protein	0.0147	0.0885	0.0885
Echinococcus multilocularis	tar DNA binding protein	0.1095	0.8467	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0082	0.0364	0.0364
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0014	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0407	0.2963	0.3499
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0407	0.2963	0.2963
Brugia malayi	MH1 domain containing protein	0.0082	0.0364	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0014	0.0014
Echinococcus granulosus	GPCR family 2	0.0407	0.2963	0.3499
Brugia malayi	MH2 domain containing protein	0.1207	0.9367	0.9367
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0327	0.5027
Giardia lamblia	Replication factor C, subunit 1	0.0039	0.0014	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0014	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.0014	0.5
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0116	0.0637	0.0637
Toxoplasma gondii	LsmAD domain-containing protein	0.0078	0.0327	0.5027
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0327	0.5027
Brugia malayi	N-terminal motif family protein	0.0364	0.2618	0.2618
Schistosoma mansoni	topbp1	0.0039	0.0014	0.0016
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0116	0.0637	0.0752
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0039	0.0014	0.5
Schistosoma mansoni	hypothetical protein	0.0407	0.2963	0.3499
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0039	0.0014	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0082	0.0364	0.043
Schistosoma mansoni	Smad4	0.0082	0.0364	0.043
Trypanosoma brucei	PAB1-binding protein , putative	0.0078	0.0327	0.5027
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0039	0.0014	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0014	0.5
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0116	0.0637	0.0752
Onchocerca volvulus		0.0147	0.0885	0.3379
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0082	0.0364	0.043
Loa Loa (eye worm)	MH1 domain-containing protein	0.0082	0.0364	0.0364
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0116	0.0637	1
Brugia malayi	hypothetical protein	0.0039	0.0014	0.0014
Echinococcus multilocularis	GPCR, family 2	0.0407	0.2963	0.3499
Echinococcus multilocularis	replication factor c subunit 1	0.0039	0.0014	0.0016
Treponema pallidum	DNA ligase (lig)	0.0039	0.0014	0.5
Echinococcus multilocularis	isocitrate dehydrogenase	0.0116	0.0637	0.0752
Schistosoma mansoni	tar DNA-binding protein	0.1095	0.8467	1
Schistosoma mansoni	tar DNA-binding protein	0.1095	0.8467	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0082	0.0364	0.043
Echinococcus granulosus	smad	0.0082	0.0364	0.043
Loa Loa (eye worm)	transcription factor SMAD2	0.1207	0.9367	0.9367
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0407	0.2963	0.3499
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0039	0.0014	0.5
Echinococcus multilocularis	Smad4	0.0082	0.0364	0.043
Loa Loa (eye worm)	hypothetical protein	0.0407	0.2963	0.2963
Echinococcus multilocularis	smad	0.0082	0.0364	0.043
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0364	0.2618	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0116	0.0637	1
Brugia malayi	MH1 domain containing protein	0.0082	0.0364	0.0364
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0407	0.2963	0.3499
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.1095	0.8467	0.8467
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0039	0.0014	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0014	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0116	0.0637	0.0752
Loa Loa (eye worm)	Smad1	0.0082	0.0364	0.0364
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0116	0.0637	0.0752

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 906936