TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 202.314 | Formula: C11H24NO2+
H donors: 1 H acceptors: 2 LogP: 1.59 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC[N+](CCCCC(=O)O)(CC)CC
InChi: 1S/C11H23NO2/c1-4-12(5-2,6-3)10-8-7-9-11(13)14/h4-10H2,1-3H3/p+1
InChiKey: HSMKWJVHDJJMMT-UHFFFAOYSA-O

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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0143	0.0131
Toxoplasma gondii	PHD-finger domain-containing protein	0.0033	0.0012	0.5
Onchocerca volvulus		0.0087	0.0399	1
Brugia malayi	Cache domain containing protein	0.0291	0.1839	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0175	0.0895
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0332	0.0321
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0282	0.0639
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0114	0.3419
Echinococcus multilocularis	jumonji domain containing protein	0.0045	0.0102	0.009
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.0282	0.1479
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0143	0.0131
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0107	0.0536	0.0525
Echinococcus granulosus	chromobox protein 1	0.0078	0.0332	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0051	0.0213
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.0282	0.0271
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.009	0.2714
Brugia malayi	Heterochromatin protein 1	0.0078	0.0332	0.1753
Brugia malayi	RNA binding protein	0.0071	0.0282	0.1479
Onchocerca volvulus		0.0087	0.0399	1
Echinococcus granulosus	jumonji domain containing protein	0.0045	0.0102	0.009
Schistosoma mansoni	hypothetical protein	0.0038	0.0051	0.0092
Schistosoma mansoni	chromobox protein	0.0078	0.0332	0.0757
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0087	0.0399	0.0916
Schistosoma mansoni	serine-rich repeat protein	0.034	0.2182	0.5133
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0023	0.0063
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.0282	0.1479
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.006	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0176	0.0901
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0332	1
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0332	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0282	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0044	0.009	0.0428
Brugia malayi	jmjC domain containing protein	0.0039	0.006	0.0265
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0658	0.4429	0.4422
Brugia malayi	TAR-binding protein	0.0071	0.0282	0.1479
Schistosoma mansoni	jumonji domain containing protein	0.0085	0.0381	0.0873
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0114	0.3419
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0399	0.212
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.009	0.202
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0143	0.031
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0399	0.212
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0087	0.0399	0.0916
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0143	0.031
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0143	0.0131
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0143	0.031
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.0332	0.1753
Onchocerca volvulus		0.0087	0.0399	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0067	0.0257	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0357	0.1887
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.009	0.2714
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0282	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0291	0.1839	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0114	0.2625
Onchocerca volvulus		0.0034	0.0023	0.0298
Schistosoma mansoni	chromobox protein	0.0078	0.0332	0.0757
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0282	0.0639
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0143	0.0131
Brugia malayi	jmjC domain containing protein	0.0107	0.0536	0.2869
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0107	0.0536	0.0525
Echinococcus granulosus	tar DNA binding protein	0.0071	0.0282	0.0271
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.006	0.0115
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1447	1	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0039	0.006	0.0049
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0051	0.0213
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0175	0.0895
Brugia malayi	chromobox protein homolog 3	0.0044	0.009	0.0428
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.006	0.0265
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0282	0.0639
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0631	0.4239	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.006	0.0115
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0332	0.0321
Toxoplasma gondii	PHD-finger domain-containing protein	0.0033	0.0012	0.5
Schistosoma mansoni	hypothetical protein	0.034	0.2182	0.5133
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0658	0.4429	0.4422
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0175	0.0895
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0175	0.0895
Echinococcus granulosus	chromobox protein 1	0.0078	0.0332	0.0321
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.0282	0.1479
Giardia lamblia	PHD finger protein 15	0.0033	0.0012	0.5
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0318	0.2029	0.4771
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0012	0.5
Loa Loa (eye worm)	RNA binding protein	0.0071	0.0282	0.1479
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0143	0.0718
Brugia malayi	Cation transporter family protein	0.0087	0.0399	0.212
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0143	0.0718
Plasmodium falciparum	phd finger protein, putative	0.0033	0.0012	0.5

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: CHEMBL2078914

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 1675541