TDR Targets

Basic information

Technical information

TDR Targets ID: 887410
Name: 1-(3-tert-butyl-4-ethoxyphenyl)sulfonylazepan e
MW: 339.493 | Formula: C18H29NO3S
H donors: 0 H acceptors: 2 LogP: 4.28 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCCCC1
InChi: 1S/C18H29NO3S/c1-5-22-17-11-10-15(14-16(17)18(2,3)4)23(20,21)19-12-8-6-7-9-13-19/h10-11,14H,5-9,12-13H2,1-4H3
InChiKey: ZQKDXZRBFSRBQE-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

1-(3-tert-butyl-4-ethoxy-phenyl)sulfonylazepane
ZINC07616237

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	0.0061	0.1028	0.1005
Loa Loa (eye worm)	hypothetical protein	0.0131	0.2755	0.2736
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0291	0.0266
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.1742	0.265
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.1742	0.422
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0832	0.2017
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0071	0.0172
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0101	0.202	0.4895
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0291	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.0022	0.0075	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0291	0.5
Giardia lamblia	PHD finger protein 15	0.0031	0.0291	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0392	0.095
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0745	0.127
Schistosoma mansoni	hypothetical protein	0.0286	0.6573	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0497	0.0756
Schistosoma mansoni	gliotactin	0.0022	0.0075	0.0115
Brugia malayi	jmjC domain containing protein	0.0101	0.202	0.3689
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0075	0.005
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0075	0.0115
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0832	0.2017
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0022	0.0075	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0236	0.5348	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0361	0.0549
Echinococcus granulosus	peregrin	0.0033	0.0348	0.0842
Echinococcus granulosus	para nitrobenzyl esterase	0.0022	0.0075	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0425	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0075	0.005
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0075	0.005
Loa Loa (eye worm)	MBCTL1	0.0053	0.0832	0.0809
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0291	0.0705
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0101	0.202	0.4895
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0451	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1028	0.1005
Echinococcus granulosus	acetylcholinesterase	0.0131	0.2755	0.6674
Loa Loa (eye worm)	hypothetical protein	0.0131	0.2755	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0075	0.005
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0497	0.0472
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0745	0.0722
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0497	0.1203
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0832	0.1436
Echinococcus multilocularis	acetylcholinesterase	0.0131	0.2755	0.6674
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0075	0.5
Onchocerca volvulus		0.0061	0.1028	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0022	0.0075	0.5
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0187	0.4128	1
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0075	0.005
Brugia malayi	Bromodomain containing protein	0.0033	0.0348	0.0516
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.1742	0.316
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0589	0.1426
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0075	0.005
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0832	0.1266
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.11	0.1078
Schistosoma mansoni	hypothetical protein	0.0031	0.0291	0.0443
Brugia malayi	mbt repeat family protein	0.0046	0.0674	0.1135
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0553	0.0529
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0022	0.0075	0.0115
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0075	0.005
Echinococcus granulosus	acetylcholinesterase	0.0131	0.2755	0.6674
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0834	0.0811
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.0674	0.1026
Brugia malayi	Carboxylesterase family protein	0.0131	0.2755	0.5081
Echinococcus granulosus	carboxylesterase 5A	0.0131	0.2755	0.6674
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.0674	0.1633
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.0674	0.1633
Echinococcus multilocularis	neuroligin	0.0022	0.0075	0.0183
Echinococcus multilocularis	peregrin	0.0033	0.0348	0.0842
Brugia malayi	Bromodomain containing protein	0.0073	0.1329	0.2376
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0075	0.005
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0061	0.1028	0.1005
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0674	0.065
Schistosoma mansoni	hypothetical protein	0.002	0.0025	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1226	0.1204
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0075	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0131	0.2755	0.6674
Loa Loa (eye worm)	carboxylesterase	0.0131	0.2755	0.2736
Brugia malayi	PHD-finger family protein	0.0031	0.0291	0.0409
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0589	0.1426
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0832	0.2017
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0497	0.0756
Echinococcus multilocularis	para nitrobenzyl esterase	0.0022	0.0075	0.0183
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.1742	0.422
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0291	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0745	0.0722
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.1742	0.265
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0022	0.0075	0.0183
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.0674	0.1633
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.1742	0.422
Brugia malayi	Carboxylesterase family protein	0.0131	0.2755	0.5081
Brugia malayi	Bromodomain containing protein	0.0037	0.0449	0.0708
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1028	0.1005
Schistosoma mansoni	BC026374 protein (S09 family)	0.0022	0.0075	0.0115
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0962	0.233
Loa Loa (eye worm)	hypothetical protein	0.0037	0.045	0.0426
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0187	0.4128	1
Schistosoma mansoni	acetylcholinesterase	0.0022	0.0075	0.0115
Loa Loa (eye worm)	serotonin transporter b	0.0061	0.1028	0.1005
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0061	0.1028	0.1564
Echinococcus granulosus	BC026374 protein S09 family	0.0022	0.0075	0.0183
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0361	0.0542
Treponema pallidum	sodium- and chloride- dependent transporter	0.0061	0.1028	0.5
Brugia malayi	PHD-finger family protein	0.0024	0.0128	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0361	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0075	0.005
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0291	0.0266
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0075	0.0115
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.1742	0.265
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0291	0.0443
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0745	0.127
Onchocerca volvulus	Alhambra homolog	0.0031	0.0291	0.2262
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0832	0.0809
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0075	0.0115
Schistosoma mansoni	sodium/chloride dependent transporter	0.0061	0.1028	0.1564
Brugia malayi	jmjC domain containing protein	0.0039	0.0497	0.0799
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0022	0.0075	0.5
Loa Loa (eye worm)	norepinephrine transporter	0.0061	0.1028	0.1005
Loa Loa (eye worm)	hypothetical protein	0.004	0.0507	0.0483
Onchocerca volvulus		0.0046	0.0674	0.6285
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.1742	0.422
Echinococcus granulosus	neuroligin	0.0022	0.0075	0.0183
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0291	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0392	0.095
Loa Loa (eye worm)	acetylcholinesterase 1	0.0131	0.2755	0.2736
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0962	0.233
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0071	0.0172
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0071	0.0108
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.0674	0.1633
Echinococcus granulosus	serotonin transporter	0.0061	0.1028	0.2491
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0022	0.0075	0.0183
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.1742	0.1721
Schistosoma mansoni	jumonji domain containing protein	0.008	0.1509	0.2295
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0674	0.1026
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0674	0.1026
Brugia malayi	mbt repeat family protein	0.0046	0.0674	0.1135
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0236	0.5348	0.5337
Echinococcus multilocularis	carboxylesterase 5A	0.0131	0.2755	0.6674
Echinococcus multilocularis	serotonin transporter	0.0061	0.1028	0.2491
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0061	0.1028	0.1807
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.0674	0.065
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0131	0.2755	0.4191
Schistosoma mansoni	bromodomain containing protein	0.0062	0.1048	0.1594
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0022	0.0075	0.0183
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0291	0.5
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0832	0.2017
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.0674	0.6285

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 887410