TDR Targets

Basic information

Technical information

TDR Targets ID: 1506834
Name: disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxo- 3-sulfonatobutanoate
MW: 467.485 | Formula: C18H31NNa2O8S
H donors: 3 H acceptors: 7 LogP: 3.04 Rotable bonds: 19
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCC(=O)NCCOC(=O)C(S(=O)(=O)[O-])CC(=O)[O-].[Na+].[Na+]
InChi: 1S/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-18(23)15(14-17(21)22)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,24,25,26);;/q;2*+1/p-2
InChiKey: ZLXKGZDDAUUGBN-UHFFFAOYSA-L

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

disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxo-3-sulfonato-butanoate
disodium 4-oxo-4-[2-(1-oxododecylamino)ethoxy]-3-sulfonatobutanoate
disodium 4-keto-4-[2-(lauroylamino)ethoxy]-3-sulfonato-butyrate
25882-44-4
Butanedioic acid, sulfo-, 1-(2-((1-oxododecyl)amino)ethyl) ester, disodium salt
Butanedioic acid, sulfo-, 1-ester with N-(2-hydroxyethyl)dodecanamide, disodium salt
Disodium 1-(2-((1-oxododecyl)amino)ethyl) 2-sulphonatosuccinate
Disodium lauramido MEA-sulfosuccinate
EINECS 247-310-4
Succinic acid, sulfo-, 1-ester with N-(2-hydroxyethyl)dodecanamide, disodium salt
Sulfobutanedioic acid, 1-ester with N-(2-hydroxyethyl)dodecanamide, disodium salt

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)	bromodomain containing protein	0.0019	0.0296	0.0302
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0422	0.0174
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0598	0.061
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0072	0.3656	0.373
Schistosoma mansoni	hypothetical protein	0.0169	0.9801	0.9798
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0072	0.3656	0.3571
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0072	0.3656	1
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0169	0.9801	0.9796
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0598	0.061
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0598	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0422	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0808	0.0824
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0808	0.0824
Entamoeba histolytica	protein kinase, putative	0.0097	0.5254	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0422	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0211	0.0215
Echinococcus multilocularis	zinc finger protein	0.0021	0.0428	0.018
Brugia malayi	ecdysteroid receptor	0.0021	0.0422	0.0431
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0422	0.0431
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.3217	0.3041
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0422	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0253	0.0258
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0598	1
Schistosoma mansoni	hypothetical protein	0.0169	0.9801	0.9798
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.224	0.2136
Entamoeba histolytica	protein kinase, putative	0.0097	0.5254	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.3217	0.3041
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0422	0.0431
Echinococcus multilocularis	transcription factor Dp 1	0.0042	0.1724	0.1509
Loa Loa (eye worm)	hypothetical protein	0.0169	0.9801	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0422	0.0174
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0422	0.0174
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0072	0.3656	0.6567
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0422	0.0431
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0422	0.0174
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0422	0.0431
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0422	0.0295
Brugia malayi	PHD-finger family protein	0.0027	0.0799	0.0815
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0422	0.0431
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0598	1
Brugia malayi	intermediate filament protein	0.0027	0.0808	0.0824
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0598	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0253	0.0124
Echinococcus multilocularis	serine:threonine protein kinase:endoribonuclease	0.0097	0.5254	0.5131
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0211	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1735	0.177
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0422	0.0295
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0598	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0211	0.0215
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0598	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0211	0.0215
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0422	0.0431
Schistosoma mansoni	hypothetical protein	0.0169	0.9801	0.9798
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0422	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431
Echinococcus granulosus	lamin	0.0027	0.0808	0.0569
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0422	0.0431
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0072	0.3656	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0598	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0502	0.0512
Trichomonas vaginalis	serine threonine-protein kinase, putative	0.005	0.222	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0211	0.0215
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0422	0.0431
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0211	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0422	0.0431
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0422	0.0174
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0422	0.0431
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0635	0.051
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0808	0.0686
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0598	0.061
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0422	0.0431
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0422	0.0431
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0422	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0077	0.3983	0.4064
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0422	0.0295
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0422	0.0174
Schistosoma mansoni	coup transcription factor	0.0021	0.0422	0.0295
Brugia malayi	nuclear hormone receptor	0.0021	0.0422	0.0431
Schistosoma mansoni	bromodomain containing protein	0.0069	0.3466	0.3379
Echinococcus granulosus	transcription factor Dp 1	0.0042	0.1724	0.1509
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0422	0.0174
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0422	0.0431
Echinococcus multilocularis	musashi	0.0027	0.0808	0.0569
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0422	0.0431
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0422	0.0295
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0422	0.0431
Brugia malayi	Bromodomain containing protein	0.0082	0.428	0.4367
Loa Loa (eye worm)	hypothetical protein	0.0047	0.2032	0.2073
Schistosoma mansoni	zinc finger protein	0.0021	0.0428	0.0301
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0422	0.0431
Loa Loa (eye worm)	apoptosis regulator protein	0.0169	0.9801	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0072	0.3656	0.373
Schistosoma mansoni	apoptosis regulator bax	0.0169	0.9801	0.9798
Schistosoma mansoni	lamin	0.0027	0.0808	0.0686
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0422	0.0431
Onchocerca volvulus		0.0027	0.0808	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0422	0.0174
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0253	0.0124
Echinococcus multilocularis	lamin	0.0027	0.0808	0.0569
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0169	0.9801	0.9798
Loa Loa (eye worm)	IRE protein kinase	0.0097	0.5254	0.5361
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0422	0.0295
Schistosoma mansoni	lamin	0.0027	0.0808	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0598	0.061
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0422	0.0174
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0422	0.0431
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0422	0.0431
Onchocerca volvulus		0.0024	0.0598	0.4544
Brugia malayi	Ribonuclease 2-5A family protein	0.0097	0.5254	0.5361
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0211	0.139
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0072	0.3656	0.3491
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0072	0.3656	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0253	0.0124
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0808	0.0824
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0422	0.0295
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0422	0.0295
Onchocerca volvulus		0.0027	0.0808	1
Echinococcus granulosus	serine:threonine protein kinase:endoribonuclease	0.0097	0.5254	0.5131
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0422	0.0431
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0422	0.0295
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0072	0.3656	0.3491
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0422	0.0295
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0598	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0422	0.0174
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0598	0.1323
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0169	0.9801	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1899	0.1938
Echinococcus multilocularis	lamin dm0	0.0027	0.0808	0.0569
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0598	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0422	0.0174
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.1565	0.1346
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0635	0.0391
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0422	0.0174
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0598	0.1323
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0598	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.1565	0.1346
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0598	0.061
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0169	0.9801	0.9796
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0169	0.9801	0.9796
Echinococcus granulosus	intermediate filament protein	0.0027	0.0808	0.0569
Schistosoma mansoni	hypothetical protein	0.0023	0.0502	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0776	0.0792
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0422	0.0431
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0169	0.9801	0.9796
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0422	0.0295
Brugia malayi	steroid hormone receptor	0.0021	0.0422	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0072	0.3656	1
Echinococcus granulosus	zinc finger protein	0.0021	0.0428	0.018
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0422	0.0174
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0422	0.0295
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0598	0.1323
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0422	0.0295
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0422	0.0174
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0635	0.0391
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0598	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0211	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0253	0.0124
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0422	0.0431
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0422	0.0174
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.222	0.5
Brugia malayi	Bromodomain containing protein	0.0042	0.173	0.1765
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0422	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0598	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0808	0.0824
Echinococcus granulosus	lamin dm0	0.0027	0.0808	0.0569
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0211	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0598	0.061
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0422	0.0431

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: CHEMBL1651996

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 1506834