TDR Targets

Basic information

Technical information

TDR Targets ID: 842955
Name: [3-amino-5-[(4-ethylphenyl)amino]-4-propylsul fonylthiophen-2-yl]-phenylmethanone
MW: 428.568 | Formula: C22H24N2O3S2
H donors: 2 H acceptors: 3 LogP: 6.5 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCS(=O)(=O)c1c(Nc2ccc(cc2)CC)sc(c1N)C(=O)c1ccccc1
InChi: 1S/C22H24N2O3S2/c1-3-14-29(26,27)21-18(23)20(19(25)16-8-6-5-7-9-16)28-22(21)24-17-12-10-15(4-2)11-13-17/h5-13,24H,3-4,14,23H2,1-2H3
InChiKey: YUWSTGUIFTUELG-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-amino-5-[(4-ethylphenyl)amino]-4-propylsulfonyl-2-thienyl]-phenyl-methanone
[3-amino-5-[(4-ethylphenyl)amino]-4-propylsulfonyl-2-thienyl]-phenylmethanone
[3-amino-5-[(4-ethylphenyl)amino]-4-propylsulfonyl-thiophen-2-yl]-phenyl-methanone

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	0.0018	0.0157	0.0233
Schistosoma mansoni	notch	0.0018	0.0157	0.0157
Echinococcus granulosus	protein jagged 1	0.0018	0.0157	0.0157
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.2637	0.3911
Echinococcus multilocularis	neurogenic locus protein delta	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0049	0.2218	0.3289
Echinococcus multilocularis	protein jagged 2	0.0018	0.0157	0.0157
Onchocerca volvulus	Peroxidase homolog	0.0055	0.2637	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0018	0.0157	0.0233
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0106	0.5997	0.8895
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Brugia malayi	Muscle positioning protein 4	0.0018	0.0157	0.0233
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.2218	0.3289
Schistosoma mansoni	hypothetical protein	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Echinococcus granulosus	slit 2 protein	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Schistosoma mansoni	notch	0.0018	0.0157	0.0157
Onchocerca volvulus	Peroxidase homolog	0.0055	0.2637	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Echinococcus granulosus	delta-like protein 1	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Echinococcus granulosus	neurogenic locus notch protein 4	0.0018	0.0157	0.0157
Echinococcus multilocularis	slit 2 protein	0.0018	0.0157	0.0157
Echinococcus multilocularis	protein jagged 1	0.0018	0.0157	0.0157
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0018	0.0157	0.0157
Echinococcus granulosus	neurogenic locus protein delta	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Brugia malayi	Peroxidasin	0.0055	0.2637	0.3911
Brugia malayi	Blistered cuticle protein 3	0.0055	0.2637	0.3911
Brugia malayi	EGF-like domain containing protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Schistosoma mansoni	peroxidasin	0.0055	0.2637	0.2637
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.2637	0.3911
Brugia malayi	notch-like transmembrane receptor	0.0018	0.0157	0.0233
Schistosoma mansoni	hypothetical protein	0.0018	0.0157	0.0157
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.2218	0.3289
Echinococcus multilocularis	notch	0.0018	0.0157	0.0157
Loa Loa (eye worm)	notch protein	0.0018	0.0157	0.0233
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Echinococcus multilocularis	neurogenic locus notch protein	0.0018	0.0157	0.0157
Entamoeba histolytica	hypothetical protein	0.0035	0.1315	0.5
Echinococcus granulosus	peroxidasin	0.0055	0.2637	0.2637
Schistosoma mansoni	cell polarity protein	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Schistosoma mansoni	laminin gamma-3 chain	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Loa Loa (eye worm)	Notch2	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Echinococcus multilocularis	neurogenic locus protein delta	0.0018	0.0157	0.0157
Entamoeba histolytica	hypothetical protein	0.0035	0.1315	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.0157	0.0157
Schistosoma mansoni	hypothetical protein	0.0018	0.0157	0.0157
Schistosoma mansoni	notch	0.0018	0.0157	0.0157
Brugia malayi	Cadherin domain containing protein	0.0018	0.0157	0.0233
Schistosoma mansoni	notch	0.0018	0.0157	0.0157
Schistosoma mansoni	hypothetical protein	0.0018	0.0157	0.0157
Onchocerca volvulus	Peroxidasin homolog	0.0055	0.2637	1
Echinococcus granulosus	neurogenic locus notch protein	0.0018	0.0157	0.0157
Schistosoma mansoni	hypothetical protein	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.2637	0.3911
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.2218	0.3289
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Brugia malayi	EGF-like domain containing protein	0.0018	0.0157	0.0233
Brugia malayi	EGF-like domain containing protein	0.0018	0.0157	0.0233
Echinococcus granulosus	protein jagged 2	0.0018	0.0157	0.0157
Echinococcus granulosus	protein jagged 2	0.0018	0.0157	0.0157
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0105	0.5963	0.8845
Schistosoma mansoni	septate junction protein	0.0018	0.0157	0.0157
Onchocerca volvulus	Peroxidasin homolog	0.0055	0.2637	1
Echinococcus granulosus	protein jagged 1	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Onchocerca volvulus	Dual oxidase homolog	0.0055	0.2637	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Brugia malayi	Calcium binding EGF domain containing protein	0.0018	0.0157	0.0233
Brugia malayi	EGF-like domain containing protein	0.0018	0.0157	0.0233
Brugia malayi	EGF-like domain containing protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.2637	0.3911
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0105	0.5963	0.8845
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.2637	0.3911
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Echinococcus multilocularis	neurogenic locus notch protein	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Onchocerca volvulus		0.0055	0.2637	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Echinococcus granulosus	neural cadherin	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Entamoeba histolytica	hypothetical protein	0.0035	0.1315	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.2637	0.3911
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.2637	0.3911
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.6742	1
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.2637	0.3911
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.2637	0.3911
Toxoplasma gondii	EGF family domain-containing protein	0.0018	0.0157	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1315	0.1315
Schistosoma mansoni	hypothetical protein	0.0018	0.0157	0.0157
Echinococcus multilocularis	transcription factor eb	0.0106	0.5997	0.5997
Brugia malayi	Cadherin domain containing protein	0.0018	0.0157	0.0233
Giardia lamblia	High cysteine protein	0.0018	0.0157	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1315	0.1315
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.6742	1
Echinococcus granulosus	transcription factor eb	0.0106	0.5997	0.5997
Echinococcus multilocularis	geminin	0.0166	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0018	0.0157	0.0157
Brugia malayi	Delta serrate ligand family protein	0.0018	0.0157	0.0233
Brugia malayi	Calcium binding EGF domain containing protein	0.0018	0.0157	0.0233
Schistosoma mansoni	notch	0.0018	0.0157	0.0157
Onchocerca volvulus	Chorion peroxidase homolog	0.0055	0.2637	1
Brugia malayi	EGF-like domain containing protein	0.0018	0.0157	0.0233
Echinococcus multilocularis	neural cadherin	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Echinococcus granulosus	fibropellin Ia	0.0018	0.0157	0.0157
Schistosoma mansoni	peroxidasin	0.0055	0.2637	0.2637
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0018	0.0157	0.0157
Echinococcus multilocularis	fibropellin Ia	0.0018	0.0157	0.0157
Brugia malayi	Calcium binding EGF domain containing protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Brugia malayi	GCC2 and GCC3 family protein	0.0018	0.0157	0.0233
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Brugia malayi	hypothetical protein	0.0035	0.1315	0.195
Loa Loa (eye worm)	blistered cuticle protein 3	0.0055	0.2637	0.3911
Schistosoma mansoni	slit	0.0018	0.0157	0.0157
Onchocerca volvulus		0.0055	0.2637	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Echinococcus multilocularis	peroxidasin	0.0055	0.2637	0.2637
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1191	0.1767
Schistosoma mansoni	hypothetical protein	0.0033	0.1191	0.1191
Onchocerca volvulus		0.0055	0.2637	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Echinococcus granulosus	notch	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2637	0.3911
Brugia malayi	hypothetical protein	0.0055	0.2637	0.3911
Echinococcus multilocularis	protein jagged 1	0.0018	0.0157	0.0157
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1191	0.1767
Brugia malayi	EGF-like domain containing protein	0.0018	0.0157	0.0233
Entamoeba histolytica	hypothetical protein	0.0035	0.1315	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1315	0.1315
Schistosoma mansoni	hypothetical protein	0.0035	0.1315	0.1315
Brugia malayi	MH2 domain containing protein	0.0117	0.6742	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233
Schistosoma mansoni	notch	0.0018	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0157	0.0233

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 842955