TDR Targets

Basic information

Technical information

TDR Targets ID: 767202
Name: 2-(3-chlorophenoxy)-N-(3-cyano-6-methyl-4,5,6 ,7-tetrahydro-1-benzothiophen-2-yl)acetamide
MW: 360.858 | Formula: C18H17ClN2O2S
H donors: 1 H acceptors: 2 LogP: 5.37 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(NC(=O)COc2cccc(c2)Cl)sc2c1CCC(C2)C
InChi: 1S/C18H17ClN2O2S/c1-11-5-6-14-15(9-20)18(24-16(14)7-11)21-17(22)10-23-13-4-2-3-12(19)8-13/h2-4,8,11H,5-7,10H2,1H3,(H,21,22)
InChiKey: YDAJBQGSZNLGRT-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-chlorophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide
2-(3-chlorophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide
ST5190460
EU-0075838

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
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0044	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0644	0.0913
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0044	0.0068
Trypanosoma cruzi	hypothetical protein, conserved	0.0439	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.1763	0.3496
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0751	0.2337
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0044	0.0068
Brugia malayi	hypothetical protein	0.0119	0.2377	0.4745
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0096	0.0096
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0231	0.5043	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1763	0.25
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0096	0.0096
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0044	0.0068
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0044	0.0087
Echinococcus granulosus	L aminoadipate semialdehyde	0.0082	0.1498	0.2969
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0821	0.1628
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0044	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0044	0.0068
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0315	0.7052	1
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0666	0.1321
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0096	0.5
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0751	0.2337
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0082	0.1498	0.2969
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1763	0.25
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0044	0.0088
Echinococcus multilocularis	geminin	0.0165	0.3462	0.6864
Trypanosoma brucei	hypothetical protein, conserved	0.0439	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.501	0.9934
Brugia malayi	steroid hormone receptor	0.0021	0.0044	0.0088
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0044	0.0068
Brugia malayi	hypothetical protein	0.023	0.501	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0315	0.7052	1
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0231	0.5043	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0248	0.0491
Giardia lamblia	Kinase, PLK	0.0093	0.1763	0.25
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1498	0.2969
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0248	0.0385
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0248	0.1732
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.1763	0.3398
Schistosoma mansoni	hypothetical protein	0.029	0.6437	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1763	0.25
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0051	0.0751	0.0751
Onchocerca volvulus	Huntingtin homolog	0.0119	0.2377	0.4612
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0666	0.1321
Onchocerca volvulus		0.0047	0.0661	0.1221
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0044	0.0088
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0644	0.0913
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.501	0.9934
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0.0096	0.5
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0051	0.0751	0.0751
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0.0096	0.5
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0231	0.5043	0.7835
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0821	0.1628
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0044	0.0088
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0972	0.1927
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0666	0.1321
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0821	0.1628
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0044	0.0087
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0972	0.1509
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0082	0.1498	0.2989
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0044	0.0088
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0044	0.0087
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0044	0.0068
Treponema pallidum	fructose-bisphosphate aldolase	0.0315	0.7052	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0044	0.0088
Loa Loa (eye worm)	MBCTL1	0.0054	0.0821	0.1628
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0666	0.1035
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0189	0.4044	0.8019
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0044	0.0088
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0248	0.0491
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0044	0.0068
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0044	0.0068
Schistosoma mansoni	coup transcription factor	0.0021	0.0044	0.0068
Onchocerca volvulus		0.0234	0.5104	1
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0044	0.0087
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1763	0.25
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0666	0.1321
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0044	0.0087
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Brugia malayi	hypothetical protein	0.0106	0.2074	0.414
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.1763	0.3496
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0023	0.0096	0.0298
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0044	0.0087
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0044	0.0087
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0082	0.1498	0.2327
Mycobacterium tuberculosis	Conserved protein	0.0051	0.0751	0.2337
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0044	0.0088
Onchocerca volvulus		0.0082	0.1498	0.2873
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0044	0.0088
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0044	0.0087
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0044	0.0087
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0044	0.0087
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.1763	0.1763
Echinococcus granulosus	geminin	0.0165	0.3462	0.6864
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0044	0.0088
Echinococcus granulosus	citrate lyase subunit beta protein	0.0051	0.0751	0.1489
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0666	0.1035
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0044	0.0087
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0248	0.0385
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.1763	0.25
Trypanosoma brucei	polo-like protein kinase	0.0093	0.1763	0.1763
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.5104	0.7237
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1763	0.25
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0044	0.0088
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0666	0.1035
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0044	0.0087
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0972	0.3024
Loa Loa (eye worm)	hypothetical protein	0.023	0.501	0.9934
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0044	0.0068
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0154	0.3213	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1763	0.25
Brugia malayi	Pre-SET motif family protein	0.0029	0.0248	0.0494
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0248	0.0491
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.1763	0.1763
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0051	0.0751	0.2337
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0821	0.1628
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0972	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0821	0.1276
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0044	0.0088
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0044	0.0088
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0972	0.3024
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0315	0.7052	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0972	0.1927
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0666	0.1321
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0661	0.1028
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1763	0.25
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0189	0.4044	0.8019
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0044	0.0068
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0972	0.3024
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0044	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0119	0.2377	0.4714
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0222	0.044
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0044	0.0087
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0248	0.0491
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0044	0.0087
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0661	0.132
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0154	0.3213	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0044	0.0088
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0972	0.3024
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.1763	0.3496
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0044	0.0087
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0044	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0248	0.0385
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0044	0.0087
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0044	0.0088
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.1763	0.1763
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0044	0.0088
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0044	0.0068
Entamoeba histolytica	hypothetical protein	0.0023	0.0096	0.0136
Brugia malayi	mbt repeat family protein	0.0047	0.0666	0.133
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0231	0.5043	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Schistosoma mansoni	hypothetical protein	0.0165	0.3462	0.5378
Schistosoma mansoni	hypothetical protein	0.0047	0.0661	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0119	0.2377	0.4714
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0051	0.0751	0.1489
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0051	0.0751	0.2337
Onchocerca volvulus		0.0029	0.0248	0.0402
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.1763	0.3519
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0044	0.0087
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0044	0.0087
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0044	0.0068
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0044	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0821	0.1628
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0096	0.0298
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0821	0.1639
Schistosoma mansoni	hypothetical protein	0.0165	0.3462	0.5378
Brugia malayi	ecdysteroid receptor	0.0021	0.0044	0.0088
Plasmodium vivax	SET domain protein, putative	0.0029	0.0248	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0972	0.0972
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0087
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0051	0.0751	0.2337
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.4429	0.8782
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Brugia malayi	nuclear hormone receptor	0.0021	0.0044	0.0088
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0044	0.0088
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0972	0.1509
Brugia malayi	Pre-SET motif family protein	0.0205	0.4429	0.8841
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.7052	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0439	1	1
Onchocerca volvulus	Huntingtin homolog	0.0119	0.2377	0.4612
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0051	0.0751	0.1065
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0051	0.0751	0.0751
Brugia malayi	mbt repeat family protein	0.0047	0.0666	0.133
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0051	0.0751	0.2337
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0666	0.123
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0044	0.0087
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0666	0.1321
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0023	0.0096	0.0298
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0154	0.3213	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0248	0.0385
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.1763	0.2739
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0044	0.0087
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0044	0.0087
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0044	0.0087
Schistosoma mansoni	kinase	0.0047	0.0673	0.1046
Onchocerca volvulus		0.0047	0.0666	0.123

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 767202