TDR Targets

Basic information

Technical information

TDR Targets ID: 2173994
Name: ethyl 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3, 4-oxadiazol-2-yl]sulfanyl]acetate
MW: 273.115 | Formula: C11H19N3O3S
H donors: 1 H acceptors: 3 LogP: 1.5 Rotable bonds: 8
Rule of 5 violations (Lipinski): 0
SMILES: CCOC(=O)CSc1nnc(o1)[C@H](CC(C)C)N
InChi: InChI=1S/C11H19N3O3S/c1-4-16-9(15)6-18-11-14-13-10(17-11)8(12)5-7(2)3/h7-8H,4-6,12H2,1-3H3/t8-/m0/s1
InChiKey: DCECUPFOLQLCMT-QMMMGPOBSA-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 2-[[5-[(1S)-1-amino-3-methyl-butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester
2-[[5-[(1S)-1-amino-3-methyl-butyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester
ethyl 2-[[5-[(1S)-1-amino-3-methyl-butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

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)	intermediate filament tail domain-containing protein	0.0056	0.106	0.1806
Schistosoma mansoni	intermediate filament proteins	0.0056	0.106	0.1053
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0525	0.5
Loa Loa (eye worm)	acetyltransferase	0.014	0.3271	0.5601
Schistosoma mansoni	thyroid hormone receptor	0.0396	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0029	0.0357	0.0611
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.0357	0.0611
Brugia malayi	hypothetical protein	0.0025	0.0229	0.0393
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0357	0.0349
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0357	0.0349
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.0357	0.0349
Echinococcus granulosus	lamin dm0	0.0056	0.106	0.1141
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0029	0.0357	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0577	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0029	0.0357	0.0349
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0029	0.0357	0.0611
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0029	0.0357	0.0611
Brugia malayi	MH1 domain containing protein	0.0016	0.0008	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0269	0.0447
Brugia malayi	intermediate filament protein	0.0056	0.106	0.1818
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0029	0.0357	0.0598
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.0357	0.0611
Schistosoma mansoni	coup transcription factor	0.0029	0.0357	0.0349
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0525	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0357	0.0378
Brugia malayi	MH2 domain containing protein	0.0238	0.5834	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0029	0.0357	0.0349
Schistosoma mansoni	lamin	0.0056	0.106	0.1053
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0525	0.0517
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0296	0.0312
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0667	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0525	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0029	0.0357	0.0378
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0296	0.0288
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.5605	1
Brugia malayi	MH1 domain containing protein	0.0016	0.0008	0.0014
Entamoeba histolytica	hypothetical protein	0.0106	0.2366	1
Brugia malayi	ecdysteroid receptor	0.0029	0.0357	0.0611
Echinococcus granulosus	FTZ F1 alpha	0.0029	0.0357	0.0378
Brugia malayi	steroid hormone receptor	0.0029	0.0357	0.0611
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0029	0.0357	0.0349
Onchocerca volvulus		0.0056	0.106	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0525	0.0887
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0029	0.0357	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Onchocerca volvulus		0.0036	0.0525	0.2393
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0029	0.0357	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1033	0.176
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0029	0.0357	0.0349
Echinococcus multilocularis	ecdysone induced protein 78C	0.0029	0.0357	0.0349
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0525	0.09
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0029	0.0357	0.0349
Onchocerca volvulus		0.0036	0.0525	0.2393
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0029	0.0357	0.0378
Brugia malayi	photoreceptor-specific nuclear receptor	0.0029	0.0357	0.0611
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0525	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.0525	0.6755
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0525	0.0517
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0029	0.0357	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0525	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.3168	0.3427
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0525	0.0517
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0525	0.0887
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0029	0.0357	0.0378
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0667	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.106	0.1818
Echinococcus granulosus	lamin	0.0056	0.106	0.1141
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0029	0.0357	0.0349
Echinococcus granulosus	ecdysone induced protein 78C	0.0029	0.0357	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0229	0.0379
Mycobacterium ulcerans	lipase LipD	0.0036	0.0525	0.5
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0367	0.9226	0.9225
Onchocerca volvulus		0.0056	0.106	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0296	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0269	0.0447
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0029	0.0357	0.0378
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0667	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0029	0.0357	0.0598
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.0357	0.0611
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0525	1
Brugia malayi	nuclear receptor NHR-88	0.0029	0.0357	0.0611
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0667	1
Entamoeba histolytica	hypothetical protein	0.0106	0.2366	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0367	0.9226	1
Echinococcus multilocularis	musashi	0.0056	0.106	0.1053
Schistosoma mansoni	lamin	0.0056	0.106	0.1053
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0525	0.5
Brugia malayi	MH2 domain containing protein	0.0016	0.0008	0.0014
Echinococcus multilocularis	lamin dm0	0.0056	0.106	0.1053
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.0357	0.0611
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0374	0.0641
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.0357	0.0611
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.0357	0.0611
Brugia malayi	beta-lactamase	0.0036	0.0525	0.09
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.3271	0.3265
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0106	0.2366	0.2558
Onchocerca volvulus		0.0036	0.0525	0.2393
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0667	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0029	0.0357	0.0598
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0525	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0525	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0029	0.0357	0.0349
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0525	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0525	0.0887
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0029	0.0357	0.0611
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.106	0.1806
Schistosoma mansoni	hypothetical protein	0.0367	0.9226	0.9225
Brugia malayi	hypothetical protein	0.0106	0.2366	0.4056
Brugia malayi	nuclear hormone receptor	0.0029	0.0357	0.0611
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0106	0.2366	0.236
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.3271	0.5607
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.0357	0.0611
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0029	0.0357	0.0611
Schistosoma mansoni	hypothetical protein	0.0106	0.2366	0.236
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0577	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0667	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0525	0.0887
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0525	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0029	0.0357	0.0611
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0029	0.0357	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0029	0.0357	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0056	0.106	0.1806
Loa Loa (eye worm)	steroid hormone receptor	0.0029	0.0357	0.0598
Entamoeba histolytica	hypothetical protein	0.0106	0.2366	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0029	0.0357	0.0598
Schistosoma mansoni	transcription factor LCR-F1	0.0106	0.2366	0.236
Brugia malayi	beta-lactamase family protein	0.0036	0.0525	0.09
Loa Loa (eye worm)	transcription factor SMAD2	0.0238	0.5834	1
Brugia malayi	Smad1	0.0016	0.0008	0.0014
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0525	0.6755
Echinococcus multilocularis	lamin	0.0056	0.106	0.1053
Brugia malayi	MH2 domain containing protein	0.0016	0.0008	0.0014
Schistosoma mansoni	retinoic acid receptor RXR	0.0029	0.0357	0.0349
Entamoeba histolytica	hypothetical protein	0.0106	0.2366	1
Schistosoma mansoni	thyroid hormone receptor	0.0396	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0029	0.0357	0.0378
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0029	0.0357	0.0611
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0029	0.0357	0.0349
Loa Loa (eye worm)	MH2 domain-containing protein	0.0238	0.5834	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0525	0.09
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0374	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0525	0.0887
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0357	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0525	0.0887
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0029	0.0357	0.0349
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.3271	0.3265
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0029	0.0357	0.0349
Echinococcus granulosus	intermediate filament protein	0.0056	0.106	0.1141
Leishmania major	hypothetical protein, conserved	0.0036	0.0525	1
Echinococcus multilocularis	FTZ F1 alpha	0.0029	0.0357	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0357	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0525	0.0887

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

ChEMBL: CHEMBL3547981

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 2173994