TDR Targets

Basic information

Technical information

TDR Targets ID: 700147
Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-me thylphenyl)sulfonylpropanamide
MW: 362.466 | Formula: C17H18N2O3S2
H donors: 1 H acceptors: 4 LogP: 3.38 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(NC(=O)CCS(=O)(=O)c2ccc(cc2)C)sc(c1C)C
InChi: 1S/C17H18N2O3S2/c1-11-4-6-14(7-5-11)24(21,22)9-8-16(20)19-17-15(10-18)12(2)13(3)23-17/h4-7H,8-9H2,1-3H3,(H,19,20)
InChiKey: AJCBIQCZRHCCCD-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

N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(4-methylphenyl)sulfonyl-propanamide
N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(4-methylphenyl)sulfonylpropanamide
N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(4-methylphenyl)sulfonyl-propionamide
N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide
ZINC04570342

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
Brugia malayi	TAR-binding protein	0.0064	0.3053	0.3053
Schistosoma mansoni	dep domain containing protein	0.001	0.0146	0.048
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1524	0.1524
Echinococcus granulosus	tar DNA binding protein	0.0064	0.3053	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.1415	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0033	0.1415	0.4634
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0033	0.1415	0.4634
Schistosoma mansoni	hypothetical protein	0.0016	0.051	0.1671
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.051	0.1671
Entamoeba histolytica	hypothetical protein	0.0007	0	0.5
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0146	0.048
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.3053	0.3053
Echinococcus multilocularis	GPCR, family 2	0.0016	0.051	0.1671
Schistosoma mansoni	hypothetical protein	0.0016	0.051	0.1671
Loa Loa (eye worm)	hypothetical protein	0.0193	1	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0146	0.048
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.3053	0.3053
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3053	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0146	0.048
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.051	0.1671
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.1415	0.4634
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0146	0.048
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2398	0.2398
Brugia malayi	DIX domain containing protein	0.001	0.0146	0.0146
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0033	0.1415	0.4634
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0033	0.1415	0.1415
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0033	0.1415	0.4634
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0033	0.1415	0.5
Loa Loa (eye worm)	RNA binding protein	0.0064	0.3053	0.3053
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3053	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.2398	0.2398
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.1415	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.1415	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.051	0.051
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.051	0.1671
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0146	0.048
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0146	0.0146
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0146	0.0146
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.3053	0.3053
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.2398	0.2398
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0146	0.0146
Schistosoma mansoni	hypothetical protein	0.0035	0.1524	0.4993
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0033	0.1415	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0146	0.0146
Brugia malayi	RNA binding protein	0.0064	0.3053	0.3053
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.3053	1
Brugia malayi	hypothetical protein	0.001	0.0146	0.0146
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0146	0.048
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0146	0.0146
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0033	0.1415	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.051	0.051
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0146	0.048
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.1415	0.5
Onchocerca volvulus		0.001	0.0146	0.0146
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.051	0.1671
Brugia malayi	hypothetical protein	0.001	0.0146	0.0146
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0146	0.048
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0007	0	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0146	0.048
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.051	0.051
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0146	0.048
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3053	1
Echinococcus granulosus	GPCR family 2	0.0016	0.051	0.1671
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3053	1
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0033	0.1415	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.051	0.1671
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3053	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0033	0.1415	1
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0146	0.0146
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0146	0.048
Loa Loa (eye worm)	hypothetical protein	0.001	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1524	0.1524
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Schistosoma mansoni	dishevelled	0.001	0.0146	0.048
Brugia malayi	isocitrate dehydrogenase	0.0033	0.1415	0.1415
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0007	0	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.1415	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0146	0.048
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0033	0.1415	0.1415
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.051	0.051
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.1415	0.4634
Schistosoma mansoni	dishevelled	0.001	0.0146	0.048
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.2398	0.2398
Schistosoma mansoni	hypothetical protein	0.0016	0.051	0.1671
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0146	0.0146
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.1415	0.4634
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0193	1	1
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0146	0.048
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5

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 700147