TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 300.351 | Formula: C14H24N2O5
H donors: 2 H acceptors: 3 LogP: 0.1 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)/C=C/CN[C@H](C(=O)OC(C)(C)C)CC(=O)N
InChi: 1S/C14H24N2O5/c1-5-20-12(18)7-6-8-16-10(9-11(15)17)13(19)21-14(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3,(H2,15,17)/b7-6+/t10-/m0/s1
InChiKey: OIGHEFHXNATKAM-FGEFZZPRSA-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

No synonyms found for this compound

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
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0061	0.0491	0.0477
Brugia malayi	hypothetical protein	0.0045	0.0289	0.018
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0053	0.0389	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0186	0.2047	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0061	0.0491	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0061	0.0491	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.0477
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0061	0.0491	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.0477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0292	0.0665
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0061	0.0491	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0289	0.018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0083	0.0002
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0186	0.2047	0.1926
Brugia malayi	ecdysteroid receptor	0.058	0.6988	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0186	0.2047	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0045	0.0289	0.0125
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0186	0.2047	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0186	0.2047	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0083	0.0002
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0186	0.2047	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0117	0.0111
Schistosoma mansoni	RAR-like nuclear receptor	0.0061	0.0491	0.0331
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0246	0.2808	0.3873
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0166	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0061	0.0491	0.0477
Brugia malayi	nuclear receptor NHR-88	0.0061	0.0491	0.0477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0389	0.0974
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0061	0.0491	0.0331
Schistosoma mansoni	thyroid hormone receptor	0.0061	0.0491	0.0331
Brugia malayi	hypothetical protein	0.0041	0.0241	0.011
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0186	0.2047	0.1913
Schistosoma mansoni	peptidase Clp (S14 family)	0.0186	0.2047	0.1913
Brugia malayi	Nuclear hormone receptor-like 1	0.0061	0.0491	0.0477
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0042	0.0254	0.6514
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0061	0.0491	0.0477
Onchocerca volvulus	Protein ultraspiracle homolog	0.0061	0.0491	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0289	0.018
Echinococcus multilocularis	FTZ F1 alpha	0.0061	0.0491	0.0331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0219	0.0432
Echinococcus granulosus	ecdysone induced protein 78C	0.0061	0.0491	0.0347
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0121	0.0123
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0241	0.0093
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0186	0.2047	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0821	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0219	0.0432
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0045	0.0289	0.018
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0061	0.0491	0.0331
Trichomonas vaginalis	set domain proteins, putative	0.028	0.3234	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0061	0.0491	0.0477
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.0491	0.0347
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0061	0.0491	0.0477
Schistosoma mansoni	thyroid hormone receptor	0.0061	0.0491	0.0331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0253	0.0542
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0061	0.0491	0.0331
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0186	0.2047	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0053	0.0389	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0083	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0289	0.018
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.0491	0.0331
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0061	0.0491	0.0477
Giardia lamblia	GTOR	0.0053	0.0389	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0061	0.0491	0.0477
Onchocerca volvulus	Bile acid receptor homolog	0.058	0.6988	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0064	0.0524	0.1904
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0219	0.0432
Toxoplasma gondii	target of rapamycin (TOR), putative	0.004	0.0219	0.0281
Loa Loa (eye worm)	hypothetical protein	0.058	0.6988	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0061	0.0491	0.0347
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0122	0.1246	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0061	0.0491	0.0477
Onchocerca volvulus		0.0061	0.0491	0.0477
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0053	0.0389	1
Brugia malayi	Probable ClpP-like protease	0.0186	0.2047	0.2757
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.0491	0.0347
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0053	0.0389	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.0477
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0186	0.2047	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0025	0.0038	0.0985
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2047	0.2757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0121	0.0123
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0122	0.1246	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0289	0.018
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0061	0.0491	0.0477
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0053	0.0389	0.0328
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0061	0.0491	0.0331
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0061	0.0491	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.0477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0117	0.0111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0253	0.0542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0061	0.0491	0.0477
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0061	0.0491	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.0477
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0061	0.0491	0.0477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0219	0.0432
Brugia malayi	hypothetical protein	0.0045	0.0289	0.018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0219	0.0432
Brugia malayi	Pre-SET motif family protein	0.0246	0.2808	0.3873
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0156	0.0233
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0061	0.0491	0.0331
Loa Loa (eye worm)	steroid hormone receptor	0.0061	0.0491	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0289	0.018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0061	0.0491	0.0477
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0061	0.0491	0.0331
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0186	0.2047	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0253	0.0542
Loa Loa (eye worm)	phosphatidylinositol 3	0.0053	0.0389	0.0328
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0241	0.0076
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0061	0.0491	0.0477
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0053	0.0389	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0061	0.0491	0.0477
Schistosoma mansoni	hypothetical protein	0.0041	0.0241	0.0076
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0061	0.0491	0.0477
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0053	0.0389	0.0244
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0061	0.0491	0.0331
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0053	0.0389	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0061	0.0491	0.0477
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0186	0.2047	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0061	0.0491	0.0477
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0061	0.0491	0.0347
Schistosoma mansoni	nuclear hormone receptor	0.0061	0.0491	0.0331
Brugia malayi	photoreceptor-specific nuclear receptor	0.0061	0.0491	0.0477
Echinococcus multilocularis	ecdysone induced protein 78C	0.0061	0.0491	0.0331
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0045	0.0289	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.0477
Brugia malayi	Nuclear hormone receptor-like 1	0.0045	0.0289	0.018
Echinococcus granulosus	FTZ F1 alpha	0.0061	0.0491	0.0347
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0053	0.0389	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0045	0.0289	0.0125
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0219	0.0432
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0061	0.0491	0.0477
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0045	0.0289	0.0141
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0061	0.0491	0.0477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0083	0.0002
Echinococcus granulosus	peptidase Clp S14 family	0.0122	0.1246	0.1114
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0061	0.0491	0.0477
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0053	0.0389	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.017	0.0278
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0053	0.0389	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0389	0.0974
Schistosoma mansoni	retinoic acid receptor RXR	0.0061	0.0491	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.0477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0253	0.0542
Brugia malayi	steroid hormone receptor	0.0061	0.0491	0.0477
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0061	0.0491	0.0347
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0122	0.1246	0.4744
Brugia malayi	nuclear hormone receptor	0.0061	0.0491	0.0477
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0186	0.2047	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.0821	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0053	0.0389	0.0227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0389	0.0974
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0121	0.0123
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.0491	0.0331
Brugia malayi	Nuclear hormone receptor-like 1	0.0045	0.0289	0.018
Toxoplasma gondii	hypothetical protein	0.0064	0.0524	0.1904
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0061	0.0491	0.0331
Brugia malayi	nuclear receptor RXR	0.0045	0.0289	0.018
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0241	0.0076
Brugia malayi	Steroid receptor seven-up type 2	0.0061	0.0491	0.0477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0253	0.0542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0219	0.0432
Schistosoma mansoni	coup transcription factor	0.0061	0.0491	0.0331
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0122	0.1246	0.5
Onchocerca volvulus		0.028	0.3234	0.4497
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0061	0.0491	0.0331

Activities

Activity type	Assay description	Source	Reference
Inhibition (binding)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain at 100 uM by standard fluorescence assay	ChEMBL.	20131843
Inhibition (functional)	Antitrypanosomal activity against Trypanosoma brucei brucei at 100 uM	ChEMBL.	20131843
Inhibition (functional)	Antiplasmodial activity against Plasmodium falciparum W2 at 100 uM by flow cytometry	ChEMBL.	20131843

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: CHEMBL1090645

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1120617