TDR Targets

Basic information

Technical information

TDR Targets ID: 1521103
Name: ethyl 1-[2-methoxy-5-(3-methyl-1,2-oxazol-5-y l)phenyl]sulfonylpiperidine-4-carboxylate
MW: 408.469 | Formula: C19H24N2O6S
H donors: 0 H acceptors: 4 LogP: 2.26 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cc(ccc1OC)c1onc(c1)C
InChi: 1S/C19H24N2O6S/c1-4-26-19(22)14-7-9-21(10-8-14)28(23,24)18-12-15(5-6-16(18)25-3)17-11-13(2)20-27-17/h5-6,11-12,14H,4,7-10H2,1-3H3
InChiKey: DCAMJJZJJNPEHT-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

ethyl 1-[2-methoxy-5-(3-methylisoxazol-5-yl)phenyl]sulfonylpiperidine-4-carboxylate
1-[2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester
1-[2-methoxy-5-(3-methylisoxazol-5-yl)phenyl]sulfonylisonipecotic acid ethyl ester
G008-1292
NCGC00128298-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

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)	beta-LACTamase domain containing family member	0.0033	0.0151	0.0144
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0151	0.0903
Schistosoma mansoni	serine/threonine protein kinase	0.0156	0.1222	0.4568
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0055	0.0326
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0209	0.1677	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0245	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0033	0.0151	0.0903
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.032	0.2647	0.263
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0071	0.0483	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0245	0.0223
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0055	0.0032
Onchocerca volvulus		0.0033	0.0151	0.0097
Leishmania major	hypothetical protein, conserved	0.0033	0.0151	1
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0151	0.0903
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0768	0.6529	0.6521
Brugia malayi	hypothetical protein	0.0043	0.0245	0.0223
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0156	0.1222	0.1215
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0151	0.049
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0024	0.008	0.1246
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0071	0.0483	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0021	0.0055	0.0293
Schistosoma mansoni	hypothetical protein	0.0314	0.2593	0.9793
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0071	0.0483	0.2956
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0046	0.0271	0.0249
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0151	0.0807
Onchocerca volvulus		0.0033	0.0151	0.0097
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0156	0.1222	0.1173
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0483	0.0476
Loa Loa (eye worm)	hypothetical protein	0.1168	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0021	0.0055	0.1437
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.1168	1	1
Echinococcus granulosus	inhibitor of apoptosis protein	0.032	0.2647	0.263
Schistosoma mansoni	hypothetical protein	0.0043	0.0245	0.0848
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0151	0.0807
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0071	0.0483	1
Loa Loa (eye worm)	glutaminase	0.0202	0.1617	0.161
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0023	0.0015
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0046	0.0271	0.1618
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0055	0.0032
Mycobacterium tuberculosis	Probable esterase LipL	0.0033	0.0151	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0151	0.0144
Schistosoma mansoni	inhibitor of apoptosis protein	0.032	0.2647	1
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0024	0.008	0.0593
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0021	0.0055	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0151	0.0144
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0151	0.0807
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0046	0.0271	0.5056
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0071	0.0483	0.2956
Onchocerca volvulus	Deterin homolog	0.1168	1	1
Brugia malayi	glutaminase DH11.1	0.0202	0.1617	0.1597
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0156	0.1222	0.1202
Onchocerca volvulus		0.032	0.2647	0.2607
Schistosoma mansoni	glutaminase	0.0202	0.1617	0.6073
Entamoeba histolytica	acyl-coA synthetase, putative	0.0021	0.0055	0.1437
Echinococcus granulosus	peptidase Clp S14 family	0.0046	0.0271	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0055	0.0047
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0033	0.0151	0.0129
Leishmania major	4-coumarate:coa ligase-like protein	0.0021	0.0055	0.2485
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0071	0.0483	1
Echinococcus multilocularis	geminin	0.0314	0.2593	0.2576
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0046	0.0271	0.1618
Brugia malayi	beta-lactamase family protein	0.0033	0.0151	0.0129
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0071	0.0483	0.0462
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0151	0.0807
Leishmania major	4-coumarate:coa ligase-like protein	0.0021	0.0055	0.2485
Leishmania major	4-coumarate:coa ligase-like protein	0.0021	0.0055	0.2485
Trichomonas vaginalis	glutaminase, putative	0.0202	0.1617	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0023	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0151	0.2256
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0021	0.0055	0.0293
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0151	1
Mycobacterium ulcerans	glutaminase	0.0202	0.1617	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0151	0.0144
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0151	0.0903
Echinococcus granulosus	beta LACTamase domain containing family member	0.0033	0.0151	0.0129
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.032	0.2647	1
Mycobacterium tuberculosis	Probable hydrolase	0.0033	0.0151	0.0903
Loa Loa (eye worm)	beta-lactamase	0.0033	0.0151	0.0144
Echinococcus granulosus	geminin	0.0314	0.2593	0.2576
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0033	0.0151	0.0894
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0023	0.0094
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0151	1
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0156	0.1222	0.1202
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0016	0.0008	0.0045
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0021	0.0055	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0151	0.0144
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0151	0.3024
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0156	0.1222	0.1202
Echinococcus multilocularis	inhibitor of apoptosis protein	0.032	0.2647	0.263
Mycobacterium tuberculosis	Probable lipase LipD	0.0033	0.0151	0.0903
Brugia malayi	Protein kinase domain containing protein	0.0156	0.1222	0.1202
Schistosoma mansoni	hypothetical protein	0.032	0.2647	1
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.1168	1	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0071	0.0483	1
Brugia malayi	beta-lactamase	0.0033	0.0151	0.0129
Brugia malayi	beta-lactamase family protein	0.0033	0.0151	0.0129
Mycobacterium leprae	Probable lipase LipE	0.0033	0.0151	0.2256
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0151	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0151	0.049
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0055	0.0047
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0021	0.0055	0.0293
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0071	0.0483	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0055	0.0047
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0071	0.0483	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0151	0.0144
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0024	0.008	0.1526
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0245	0.0223
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0021	0.0055	0.1437
Mycobacterium ulcerans	hypothetical protein	0.0021	0.0055	0.0293
Entamoeba histolytica	hypothetical protein	0.0043	0.0245	1
Mycobacterium ulcerans	beta-lactamase	0.0033	0.0151	0.0894
Trichomonas vaginalis	esterase, putative	0.0033	0.0151	0.0807
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0033	0.0151	0.0903
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0151	0.0894
Onchocerca volvulus		0.0033	0.0151	0.0097
Schistosoma mansoni	hypothetical protein	0.0314	0.2593	0.9793
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0151	0.0144
Entamoeba histolytica	hypothetical protein	0.0043	0.0245	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0024	0.008	0.1526
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0151	0.0807
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0156	0.1222	0.1215
Mycobacterium ulcerans	esterase/lipase LipP	0.0033	0.0151	0.0894
Mycobacterium ulcerans	acyl-CoA synthetase	0.0021	0.0055	0.0293
Brugia malayi	Probable ClpP-like protease	0.0071	0.0483	0.0462
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0055	0.0293
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0071	0.0483	0.0462
Toxoplasma gondii	hypothetical protein	0.0024	0.008	0.1246
Loa Loa (eye worm)	hypothetical protein	0.032	0.2647	0.2641
Mycobacterium ulcerans	lipase LipD	0.0033	0.0151	0.0894
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0071	0.0483	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0021	0.0055	0.0293
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0023	0.0319
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0245	0.0848
Mycobacterium tuberculosis	Probable lipase LipE	0.0033	0.0151	0.0903
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0023	0.0319
Loa Loa (eye worm)	glutaminase 2	0.0202	0.1617	0.161
Schistosoma mansoni	peptidase Clp (S14 family)	0.0071	0.0483	0.1755
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0023	0.0136
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0033	0.0151	0.0903
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0071	0.0483	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0033	0.0151	0.0129
Toxoplasma gondii	ABC1 family protein	0.0033	0.0151	0.2794
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0055	0.0032
Entamoeba histolytica	hypothetical protein	0.0043	0.0245	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.5821 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference

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

ChEMBL: CHEMBL1722116

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1521103