TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 278.39 | Formula: C16H26N2O2
H donors: 1 H acceptors: 1 LogP: 3.4 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNc1ccc(cc1)C(=O)OCCCN(C)C
InChi: 1S/C16H26N2O2/c1-4-5-11-17-15-9-7-14(8-10-15)16(19)20-13-6-12-18(2)3/h7-10,17H,4-6,11-13H2,1-3H3
InChiKey: WGKKIHGKWDUPCF-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	lamin	0.003	0.0337	0.0443
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0454	0.0652
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.006	0.0965	0.7445
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.0965	0.1561
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Toxoplasma gondii	exonuclease III APE	0.006	0.0965	0.6293
Echinococcus multilocularis	lamin	0.003	0.0337	0.0337
Loa Loa (eye worm)	glutaminase 2	0.0282	0.5711	0.5711
Echinococcus multilocularis	musashi	0.003	0.0337	0.0337
Onchocerca volvulus		0.0074	0.1266	0.3106
Echinococcus granulosus	lamin dm0	0.003	0.0337	0.0337
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.2168	0.2168
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0373	0.0295
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1266	1
Mycobacterium ulcerans	hypothetical protein	0.0207	0.4117	0.7166
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0454	0.0454
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1266	0.2097
Mycobacterium ulcerans	lipase LipD	0.0074	0.1266	0.2097
Schistosoma mansoni	survival motor neuron protein	0.0098	0.179	0.3028
Mycobacterium ulcerans	glutaminase	0.0282	0.5711	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0637	0.0977
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Mycobacterium leprae	Conserved hypothetical protein	0.0207	0.4117	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0454	0.0652
Toxoplasma gondii	ABC1 family protein	0.0074	0.1266	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1266	1
Brugia malayi	beta-lactamase family protein	0.0074	0.1266	0.1236
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.1266	0.1266
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1266	0.2097
Loa Loa (eye worm)	inositol-1	0.0036	0.0454	0.0454
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1266	0.2097
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0454	0.4176
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.1266	0.1216
Schistosoma mansoni	ap endonuclease	0.006	0.0965	0.1561
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.006	0.0965	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.3331	0.3331
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0087	0.0087
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.006	0.0965	0.7445
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0098	0.179	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0637	0.0977
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.1266	0.1216
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0337	0.0337
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0087	0.0087
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.1266	0.1216
Loa Loa (eye worm)	hypothetical protein	0.003	0.0325	0.0325
Brugia malayi	hypothetical protein	0.0035	0.0434	0.0401
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.1266	0.1216
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0337	0.0303
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0337	0.0337
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.1266	0.1236
Schistosoma mansoni	hypothetical protein	0.0035	0.0434	0.0616
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0434	0.0434
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.1266	0.1216
Echinococcus granulosus	lamin	0.003	0.0337	0.0337
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0454	0.0652
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.006	0.0965	0.7445
Brugia malayi	Inositol-1	0.0036	0.0454	0.0421
Trichomonas vaginalis	glutaminase, putative	0.0282	0.5711	1
Onchocerca volvulus		0.0074	0.1266	0.3106
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1266	0.2097
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0472	0.9782	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0637	0.0637
Brugia malayi	beta-lactamase family protein	0.0074	0.1266	0.1236
Echinococcus granulosus	survival motor neuron protein 1	0.0482	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0087	0.0053
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.006	0.0965	0.5
Onchocerca volvulus		0.0098	0.179	0.4854
Leishmania major	hypothetical protein, conserved	0.0074	0.1266	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0454	0.0454
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0637	0.0637
Trichomonas vaginalis	esterase, putative	0.0074	0.1266	0.2097
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0087	0.0087
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.1266	0.1216
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0087	0.0053
Echinococcus multilocularis	survival motor neuron protein 1	0.0482	1	1
Loa Loa (eye worm)	glutaminase	0.0282	0.5711	0.5711
Brugia malayi	MH2 domain containing protein	0.0116	0.2168	0.214
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0035	0.0035
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0087	0.0087
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1266	0.2097
Schistosoma mansoni	intermediate filament proteins	0.003	0.0337	0.0443
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.006	0.0965	0.0906
Echinococcus multilocularis	lamin dm0	0.003	0.0337	0.0337
Mycobacterium ulcerans	beta-lactamase	0.0074	0.1266	0.2097
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.006	0.0965	0.0965
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.006	0.0965	1
Onchocerca volvulus		0.0074	0.1266	0.3106
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.2168	0.2168
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.1266	0.2097
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0637	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Brugia malayi	intermediate filament protein	0.003	0.0337	0.0303
Loa Loa (eye worm)	hypothetical protein	0.003	0.0337	0.0337
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.006	0.0965	0.7445
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1266	0.2097
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0637	0.0637
Mycobacterium ulcerans	hypothetical protein	0.0074	0.1266	0.2097
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0087	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0482	1	1
Loa Loa (eye worm)	beta-lactamase	0.0074	0.1266	0.1266
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.1266	0.1216
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0434	0.0616
Brugia malayi	beta-lactamase	0.0074	0.1266	0.1236
Schistosoma mansoni	glutaminase	0.0282	0.5711	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0087	0.0087
Echinococcus granulosus	dna polymerase eta	0.0019	0.0087	0.0087
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0207	0.4117	0.4157
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1266	0.1216
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.1266	0.1266
Schistosoma mansoni	ap endonuclease	0.006	0.0965	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0637	0.0604
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0454	0.0652
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.1266	1
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.0965	0.1561
Brugia malayi	exodeoxyribonuclease III family protein	0.006	0.0965	0.0934
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.1266	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0434	0.0434
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0637	0.0637
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.006	0.0965	0.1561
Brugia malayi	hypothetical protein	0.017	0.3331	0.3307
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.1266	0.2097
Mycobacterium leprae	Probable lipase LipE	0.0074	0.1266	0.2385
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.006	0.0965	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Echinococcus granulosus	intermediate filament protein	0.003	0.0337	0.0337
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1266	0.1216
Onchocerca volvulus		0.017	0.3331	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.1266	0.1266
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.006	0.0965	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.006	0.0965	0.5
Schistosoma mansoni	hypothetical protein	0.0098	0.179	0.3028
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.1266	0.2385
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0454	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0087	0.0087
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.006	0.0965	0.0965
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0637	0.0977
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0454	0.0652
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Schistosoma mansoni	lamin	0.003	0.0337	0.0443
Brugia malayi	glutaminase DH11.1	0.0282	0.5711	0.5696
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1266	0.2097
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1266	0.1216

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: CHEMBL611759

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 1105469