TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.494 | Formula: C20H33N3O3
H donors: 4 H acceptors: 3 LogP: 2.17 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CCCCCCC(=O)NCCCCNCc1ccc(cc1)C
InChi: 1S/C20H33N3O3/c1-17-10-12-18(13-11-17)16-21-14-6-7-15-22-19(24)8-4-2-3-5-9-20(25)23-26/h10-13,21,26H,2-9,14-16H2,1H3,(H,22,24)(H,23,25)
InChiKey: KFZVJPHUUNVKTN-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

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
Schistosoma mansoni	hypothetical protein	0.0077	0.2837	0.337
Schistosoma mansoni	polycystin 1-related	0.0021	0.0265	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0971	0.0725
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0835	0.0707
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0106	0.4159	0.4
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0971	0.0725
Schistosoma mansoni	hypothetical protein	0.0033	0.0835	0.0992
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0071	0.2545	0.3024
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.2321	0.2113
Brugia malayi	intermediate filament protein	0.0027	0.0522	0.039
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.059	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0971	0.1153
Schistosoma mansoni	hypothetical protein	0.0033	0.0835	0.0992
Onchocerca volvulus		0.0027	0.0522	0.2095
Schistosoma mansoni	P2X receptor subunit	0.0066	0.2321	0.2758
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0971	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0835	0.0586
Loa Loa (eye worm)	RNA binding protein	0.02	0.8417	0.8374
Echinococcus granulosus	intermediate filament protein	0.0027	0.0522	0.0264
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0106	0.4159	0.4941
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.2599	0.2496
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0835	0.0586
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0971	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0971	0.0725
Schistosoma mansoni	lipoxygenase	0.0058	0.1975	0.2347
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.2837	0.2642
Echinococcus granulosus	GPCR family 2	0.0033	0.0835	0.0586
Brugia malayi	hypothetical protein	0.0077	0.2837	0.2737
Schistosoma mansoni	P2X receptor subunit	0.0066	0.2321	0.2758
Brugia malayi	RNA binding protein	0.02	0.8417	0.8395
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.2837	0.2642
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0228	0.9688	0.9679
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0835	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0147	0.6005	0.5896
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0971	0.0844
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0522	0.0264
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.059	1
Schistosoma mansoni	tar DNA-binding protein	0.02	0.8417	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.412	0.4038
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.2321	0.2113
Schistosoma mansoni	survival motor neuron protein	0.0048	0.1494	0.1775
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0971	0.1153
Brugia malayi	RNA recognition motif domain containing protein	0.02	0.8417	0.8395
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.4961	0.4824
Echinococcus multilocularis	muscleblind protein 1	0.0147	0.6005	0.5896
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0071	0.2545	0.3024
Schistosoma mansoni	lamin	0.0027	0.0522	0.062
Entamoeba histolytica	hypothetical protein	0.0077	0.2837	1
Entamoeba histolytica	hypothetical protein	0.0077	0.2837	1
Schistosoma mansoni	P2X receptor subunit	0.0066	0.2321	0.2758
Schistosoma mansoni	hypothetical protein	0.0033	0.0835	0.0992
Echinococcus multilocularis	tar DNA binding protein	0.02	0.8417	0.8374
Schistosoma mansoni	tar DNA-binding protein	0.02	0.8417	1
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0835	0.0586
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0971	0.0725
Brugia malayi	Melibiase family protein	0.0071	0.2545	0.2441
Brugia malayi	Muscleblind-like protein	0.0147	0.6005	0.5949
Schistosoma mansoni	tar DNA-binding protein	0.02	0.8417	1
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.2321	0.2113
Loa Loa (eye worm)	hypothetical protein	0.0235	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0835	0.0707
Schistosoma mansoni	hypothetical protein	0.0072	0.2599	0.3088
Brugia malayi	hypothetical protein	0.0028	0.059	0.0458
Entamoeba histolytica	hypothetical protein	0.0077	0.2837	1
Echinococcus granulosus	lamin	0.0027	0.0522	0.0264
Brugia malayi	Doublecortin family protein	0.0021	0.0265	0.0129
Onchocerca volvulus		0.0027	0.0522	0.2095
Echinococcus granulosus	survival motor neuron protein 1	0.0235	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0522	0.0264
Schistosoma mansoni	lamin	0.0027	0.0522	0.062
Echinococcus multilocularis	muscleblind protein	0.0147	0.6005	0.5896
Loa Loa (eye worm)	hypothetical protein	0.0105	0.412	0.396
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0522	0.062
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.059	1
Brugia malayi	hypothetical protein	0.0021	0.0265	0.0129
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0106	0.4159	0.4941
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.412	0.4038
Loa Loa (eye worm)	hypothetical protein	0.0147	0.6005	0.5896
Echinococcus multilocularis	lamin	0.0027	0.0522	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0522	0.0264
Brugia malayi	hypothetical protein	0.0021	0.0265	0.0129
Schistosoma mansoni	lipoxygenase	0.0021	0.0265	0.0314
Schistosoma mansoni	P2X receptor subunit	0.0066	0.2321	0.2758
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.2321	0.2113
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.1494	0.1375
Onchocerca volvulus		0.0048	0.1494	1
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0971	0.0725
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0835	0.0586
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.4961	0.4824
Echinococcus multilocularis	lamin dm0	0.0027	0.0522	0.0264
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0106	0.4159	0.4
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.2837	0.337
Loa Loa (eye worm)	TAR-binding protein	0.02	0.8417	0.8374
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0835	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0028	0.059	0.0334
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0071	0.2545	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0058	0.1975	0.1757
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0058	0.1975	0.1757
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	1	1
Schistosoma mansoni	rab6-interacting	0.0021	0.0265	0.0314
Schistosoma mansoni	tar DNA-binding protein	0.02	0.8417	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.412	0.396
Brugia malayi	follicle stimulating hormone receptor	0.0228	0.9688	0.9683
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0106	0.4159	0.4941
Loa Loa (eye worm)	hypothetical protein	0.0026	0.05	0.0242
Brugia malayi	TAR-binding protein	0.02	0.8417	0.8395
Entamoeba histolytica	hypothetical protein	0.0077	0.2837	1
Echinococcus multilocularis	musashi	0.0027	0.0522	0.0264
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0971	0.0725
Schistosoma mansoni	loxhd1	0.0021	0.0265	0.0314
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.2321	0.2113
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0971	1
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.2321	0.2113
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0971	1
Toxoplasma gondii	melibiase subfamily protein	0.0106	0.4159	1
Schistosoma mansoni	hypothetical protein	0.0021	0.0265	0.0314
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0522	0.039
Schistosoma mansoni	rab6-interacting	0.0021	0.0265	0.0314
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0835	0.0586
Echinococcus granulosus	lamin dm0	0.0027	0.0522	0.0264
Schistosoma mansoni	hypothetical protein	0.0033	0.0835	0.0992
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0106	0.4159	0.4
Echinococcus granulosus	muscleblind protein	0.0147	0.6005	0.5896
Brugia malayi	MH2 domain containing protein	0.0124	0.4961	0.4891
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.059	0.1419
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0971	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0106	0.4159	0.4941
Schistosoma mansoni	tar DNA-binding protein	0.02	0.8417	1
Echinococcus granulosus	tar DNA binding protein	0.02	0.8417	0.8374
Schistosoma mansoni	hypothetical protein	0.0048	0.1494	0.1775
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.02	0.8417	0.8374
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0971	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2599	0.2398
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2545	0.2342

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: CHEMBL1184847

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1149184