TDR Targets

Basic information

Technical information

TDR Targets ID: 15728
Name: (Z)-N-methoxy-N-methyloctadec-9-enamide
MW: 325.529 | Formula: C20H39NO2
H donors: 0 H acceptors: 1 LogP: 7.25 Rotable bonds: 17
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N(OC)C
InChi: 1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)23-3/h11-12H,4-10,13-19H2,1-3H3/b12-11-
InChiKey: CQOWNUTUULNURE-QXMHVHEDSA-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

(Z)-N-methoxy-N-methyl-octadec-9-enamide
(Z)-N-methoxy-N-methyl-9-octadecenamide

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
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0023	0.0344	0.0449
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0023	0.0344	0.0449
Giardia lamblia	Sgs1 DNA helicase, putative	0.0022	0.0318	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0363	1	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0318	0.1965
Trypanosoma brucei	trypanothione reductase	0.0066	0.1568	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0634	0.404
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0634	0.404
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0318	0.0248
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.0344	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0023	0.0344	0.0449
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0318	0.0248
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.0344	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0599	0.2441
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0318	0.0046
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0023	0.0344	0.0449
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0318	0.0248
Onchocerca volvulus		0.0262	0.7148	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0634	0.404
Plasmodium vivax	SET domain protein, putative	0.0033	0.0634	0.404
Brugia malayi	Thioredoxin reductase	0.0066	0.1568	0.1421
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0286	0.1824
Toxoplasma gondii	exonuclease III APE	0.0021	0.0286	0.1824
Trichomonas vaginalis	mercuric reductase, putative	0.0023	0.0344	0.0084
Brugia malayi	Protein kinase domain containing protein	0.0134	0.35	0.3386
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0022	0.0318	0.0248
Loa Loa (eye worm)	thioredoxin reductase	0.0066	0.1568	0.1558
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0011	0.0012	0.0077
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0286	0.0274
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.213
Giardia lamblia	Hypothetical protein	0.0363	1	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0344	0.0449
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.023	0.6243	0.6239
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0023	0.0344	0.0449
Brugia malayi	Fibroblast growth factor family protein	0.0363	1	1
Treponema pallidum	NADH oxidase	0.0023	0.0344	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0023	0.0344	0.0449
Schistosoma mansoni	blooms syndrome DNA helicase	0.0011	0.0012	0.0077
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0023	0.0344	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0318	0.0046
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0634	0.404
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0022	0.0318	0.0306
Plasmodium falciparum	glutathione reductase	0.0023	0.0344	0.0449
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0318	0.0248
Toxoplasma gondii	thioredoxin reductase	0.0066	0.1568	1
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0318	0.2027
Brugia malayi	Pre-SET motif family protein	0.023	0.6243	0.6178
Leishmania major	trypanothione reductase	0.0066	0.1568	1
Trichomonas vaginalis	glutathione reductase, putative	0.0023	0.0344	0.0084
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0318	0.2027
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0318	0.2027
Entamoeba histolytica	recQ family helicase, putative	0.0022	0.0318	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0344	0.0449
Plasmodium falciparum	glutathione reductase	0.0066	0.1568	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.35	0.3492
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0634	0.2711
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.213
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0023	0.0344	0.5
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0023	0.0344	0.0449
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0318	0.2027
Toxoplasma gondii	NADPH-glutathione reductase	0.0023	0.0344	0.2191
Plasmodium vivax	thioredoxin reductase, putative	0.0066	0.1568	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0634	0.404
Plasmodium falciparum	thioredoxin reductase	0.0066	0.1568	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0023	0.0344	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0023	0.0344	0.213
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0066	0.1568	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0023	0.0344	0.0449
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0023	0.0344	0.0059
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0344	0.213
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0318	0.0306
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0023	0.0344	0.2191
Loa Loa (eye worm)	hypothetical protein	0.0363	1	1
Schistosoma mansoni	ap endonuclease	0.0021	0.0286	0.1824
Mycobacterium tuberculosis	Probable oxidoreductase	0.0023	0.0344	0.0449
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0023	0.0344	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.00000000025747
Plasmodium vivax	glutathione reductase, putative	0.0066	0.1568	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0023	0.0344	1
Brugia malayi	glutathione reductase	0.0066	0.1568	0.1421
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0066	0.1568	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.213
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0022	0.0318	0.0248
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.213
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0286	0.176
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0023	0.0344	0.0175
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0022	0.0318	0.0248
Plasmodium falciparum	thioredoxin reductase	0.0023	0.0344	0.0449
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0344	0.213
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.213
Echinococcus granulosus	thioredoxin glutathione reductase	0.0066	0.1568	1
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0023	0.0344	0.0449
Trichomonas vaginalis	set domain proteins, putative	0.0262	0.7148	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0318	0.0046
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0286	0.8263
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0634	0.2711
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0023	0.0344	0.0449
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0318	0.0248
Trypanosoma cruzi	trypanothione reductase, putative	0.0066	0.1568	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0022	0.0318	0.0248
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0012	0.0077
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0022	0.0318	0.0248
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.0449
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0318	0.0149
Loa Loa (eye worm)	glutathione reductase	0.0066	0.1568	0.1558
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0318	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0634	0.0622
Entamoeba histolytica	recQ family DNA helicase	0.0011	0.0012	0.0381
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.213
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0286	0.0117
Brugia malayi	Pre-SET motif family protein	0.0033	0.0634	0.047
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0023	0.0344	0.2191
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0023	0.0344	0.2191
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0344	0.0449
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0318	0.0149
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0023	0.0344	0.2191
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0023	0.0344	0.0449
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0318	0.0306
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0634	0.2711
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0286	0.8998
Schistosoma mansoni	ap endonuclease	0.0021	0.0286	0.1824
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0286	0.176

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 100 %	Inhibition of rat glial cell gap junction at the concentration of 50 microM	ChEMBL.	10328303
Inhibition (functional)	= 100 %	Tested for inhibition of rat glial cell gap junction at the concentration of 20 microM	ChEMBL.	10328303

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: CHEMBL418542
PubChem: 10903483

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 15728