TDR Targets

Basic information

Technical information

TDR Targets ID: 843969
Name: 3-(4-chlorophenyl)-1-[(2-pyrrol-1-yl-4,5,6,7- tetrahydro-1-benzothiophen-3-yl)methyl]urea
MW: 385.91 | Formula: C20H20ClN3OS
H donors: 2 H acceptors: 1 LogP: 4.69 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)Cl)NCc1c(sc2c1CCCC2)n1cccc1
InChi: 1S/C20H20ClN3OS/c21-14-7-9-15(10-8-14)23-20(25)22-13-17-16-5-1-2-6-18(16)26-19(17)24-11-3-4-12-24/h3-4,7-12H,1-2,5-6,13H2,(H2,22,23,25)
InChiKey: KYGWZOYRPVXOHY-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-(4-chlorophenyl)-1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea
3-(4-chlorophenyl)-1-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]urea

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	trans-2,3-enoyl-CoA reductase, putative	0.0043	0	0.5
Trypanosoma brucei	carbonic anhydrase-like protein	0.0372	0.3262	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0414	0.0414
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0085	0.0414	0.0414
Onchocerca volvulus		0.0067	0.024	0.0759
Loa Loa (eye worm)	carbonic anhydrase 3	0.0372	0.3262	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0129	0.0129
Schistosoma mansoni	thyroid hormone receptor	0.019	0.1457	0.1457
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0056	0.0129	0.0129
Schistosoma mansoni	thyroid hormone receptor	0.019	0.1457	0.1457
Echinococcus multilocularis	geminin	0.0166	0.1221	0.1221
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0372	0.3262	0.3262
Onchocerca volvulus		0.0065	0.0222	0.0702
Brugia malayi	nuclear receptor NHR-88	0.0056	0.0129	0.0129
Onchocerca volvulus	Peroxidase homolog	0.0067	0.024	0.0759
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0043	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0129	0.0129
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0056	0.0129	0.0129
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0134	0.09	0.09
Brugia malayi	Blistered cuticle protein 3	0.0067	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0056	0.0129	0.0129
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0083	0.0399	0.0399
Onchocerca volvulus		0.0056	0.0129	0.041
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0056	0.0129	0.0129
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0056	0.0129	0.0129
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0129	0.0129
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0129	0.0129
Echinococcus granulosus	geminin	0.0166	0.1221	0.1221
Echinococcus multilocularis	ecdysone induced protein 78C	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0361	0.3154	0.3154
Schistosoma mansoni	carbonic anhydrase	0.0085	0.0414	0.0414
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0372	0.3262	0.3262
Echinococcus granulosus	carbonic anhydrase II	0.0372	0.3262	0.3262
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0134	0.09	0.09
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0085	0.0414	0.0414
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0056	0.0129	0.0129
Loa Loa (eye worm)	steroid hormone receptor	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Brugia malayi	Animal haem peroxidase family protein	0.0067	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0414	0.0414
Onchocerca volvulus	Peroxidasin homolog	0.0067	0.024	0.0759
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0049	0.0058	0.1396
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0129	0.0129
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1052	1	1
Onchocerca volvulus	Peroxidase homolog	0.0067	0.024	0.0759
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0129	0.0129
Plasmodium falciparum	plasmepsin VI	0.0049	0.0058	0.1396
Schistosoma mansoni	RAR-like nuclear receptor	0.0056	0.0129	0.0129
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0414	0.0414
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0043	0	0.5
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0372	0.3262	1
Plasmodium falciparum	plasmepsin II	0.0049	0.0058	0.1396
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0056	0.0129	0.0129
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0056	0.0129	0.0129
Plasmodium falciparum	plasmepsin I	0.0049	0.0058	0.1396
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0056	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0134	0.09	0.09
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0049	0.0058	0.0058
Onchocerca volvulus		0.0067	0.024	0.0759
Onchocerca volvulus	Peroxidasin homolog	0.0067	0.024	0.0759
Schistosoma mansoni	hypothetical protein	0.0166	0.1221	0.1221
Plasmodium falciparum	plasmepsin IV	0.0049	0.0058	0.1396
Brugia malayi	Animal haem peroxidase family protein	0.0067	0.024	0.024
Plasmodium vivax	plasmepsin IV, putative	0.0049	0.0058	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0056	0.0129	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0056	0.0129	0.0129
Echinococcus multilocularis	FTZ F1 alpha	0.0056	0.0129	0.0129
Echinococcus granulosus	jun protein	0.0083	0.0399	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Schistosoma mansoni	jun-related protein	0.0068	0.0244	0.0244
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0056	0.0129	0.0129
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0056	0.0129	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0129	0.0129
Schistosoma mansoni	coup transcription factor	0.0056	0.0129	0.0129
Echinococcus granulosus	FTZ F1 alpha	0.0056	0.0129	0.0129
Schistosoma mansoni	cathepsin D (A01 family)	0.0144	0.1003	0.1003
Brugia malayi	photoreceptor-specific nuclear receptor	0.0056	0.0129	0.0129
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0049	0.0058	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0414	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0129	0.0129
Brugia malayi	Steroid receptor seven-up type 2	0.0056	0.0129	0.0129
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0296	0.2505	1
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1052	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0056	0.0129	0.041
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0414	0.0414
Onchocerca volvulus	Bile acid receptor homolog	0.0361	0.3154	1
Brugia malayi	steroid hormone receptor	0.0056	0.0129	0.0129
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0056	0.0129	0.0129
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0085	0.0414	0.0414
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0056	0.0129	0.0129
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0049	0.0058	0.0058
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0056	0.0129	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0056	0.0129	0.0129
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0083	0.0399	0.0399
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1052	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0056	0.0129	0.0129
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0414	0.0414
Echinococcus multilocularis	peroxidasin	0.0067	0.024	0.024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0056	0.0129	0.0129
Plasmodium falciparum	carbonic anhydrase	0.0085	0.0414	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0296	0.2505	1
Echinococcus multilocularis	carbonic anhydrase II	0.0372	0.3262	0.3262
Schistosoma mansoni	nuclear hormone receptor	0.0056	0.0129	0.0129
Brugia malayi	ecdysteroid receptor	0.0361	0.3154	0.3154
Loa Loa (eye worm)	animal heme peroxidase	0.0067	0.024	0.024
Onchocerca volvulus	Dual oxidase homolog	0.0067	0.024	0.0759
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0056	0.0129	0.0129
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0414	0.0414
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0056	0.0129	0.0129
Loa Loa (eye worm)	animal heme peroxidase	0.0067	0.024	0.024
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0056	0.0129	0.0129
Schistosoma mansoni	peroxidasin	0.0067	0.024	0.024
Leishmania major	carbonic anhydrase-like protein	0.0372	0.3262	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0049	0.0058	0.0058
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0056	0.0129	0.0129
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0414	0.0414
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0414	0.0414
Brugia malayi	Nuclear hormone receptor-like 1	0.0056	0.0129	0.0129
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0056	0.0129	0.0129
Echinococcus multilocularis	thyroid hormone receptor alpha	0.019	0.1457	0.1457
Schistosoma mansoni	hypothetical protein	0.0166	0.1221	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Schistosoma mansoni	hypothetical protein	0.0085	0.0414	0.0414
Brugia malayi	bZIP transcription factor family protein	0.0083	0.0399	0.0399
Echinococcus granulosus	peroxidasin	0.0067	0.024	0.024
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0372	0.3262	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0058	0.0058
Brugia malayi	hypothetical protein	0.0065	0.0222	0.0222
Mycobacterium ulcerans	short chain dehydrogenase	0.0275	0.2295	0.9161
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0056	0.0129	0.0129
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0372	0.3262	1
Brugia malayi	nuclear hormone receptor	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0372	0.3262	0.3262
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1052	1	1
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0414	0.0414
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0414	0.0414
Loa Loa (eye worm)	animal heme peroxidase	0.0067	0.024	0.024
Brugia malayi	Animal haem peroxidase family protein	0.0067	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0414	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Brugia malayi	Peroxidasin	0.0067	0.024	0.024
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0049	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0129	0.0129
Giardia lamblia	Synaptic glycoprotein SC2	0.0043	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0129	0.0129
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0056	0.0129	0.041
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0129	0.0129
Schistosoma mansoni	cathepsin D (A01 family)	0.0144	0.1003	0.1003
Onchocerca volvulus		0.0067	0.024	0.0759
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0372	0.3262	0.3262
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0414	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0129	0.0129
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.024
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0056	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0068	0.0244	0.0244
Brugia malayi	Animal haem peroxidase family protein	0.0067	0.024	0.024
Toxoplasma gondii	aspartyl protease ASP1	0.0049	0.0058	0.1396
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0056	0.0129	0.0129
Onchocerca volvulus	Chorion peroxidase homolog	0.0067	0.024	0.0759
Schistosoma mansoni	peroxidasin	0.0067	0.024	0.024
Schistosoma mansoni	retinoic acid receptor RXR	0.0056	0.0129	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0067	0.024	0.024
Loa Loa (eye worm)	blistered cuticle protein 3	0.0067	0.024	0.024
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0056	0.0129	0.0129
Echinococcus multilocularis	jun protein	0.0083	0.0399	0.0399
Plasmodium vivax	aspartyl proteinase, putative	0.0049	0.0058	1
Toxoplasma gondii	hypothetical protein	0.0085	0.0414	1
Loa Loa (eye worm)	animal heme peroxidase	0.0067	0.024	0.024
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0129	0.0129
Echinococcus granulosus	ecdysone induced protein 78C	0.0056	0.0129	0.0129
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0414	0.0414
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0414	0.0414
Brugia malayi	Animal haem peroxidase family protein	0.0067	0.024	0.024

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 843969