TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.437 | Formula: C16H31N3O
H donors: 3 H acceptors: 1 LogP: 2.19 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: NCCCNCCCNC(=O)/C=C(/CCC=C(C)C)\C
InChi: 1S/C16H31N3O/c1-14(2)7-4-8-15(3)13-16(20)19-12-6-11-18-10-5-9-17/h7,13,18H,4-6,8-12,17H2,1-3H3,(H,19,20)/b15-13+
InChiKey: LZQMFEBJIYNRAQ-FYWRMAATSA-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
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0101	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0101	0.5	0.5
Mycobacterium ulcerans	beta lactamase-like protein	0.0101	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0101	0.5	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0101	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0101	0.5	0.5
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0101	0.5	0.5
Mycobacterium leprae	Beta-lactamase-like protein	0.0101	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0101	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0101	0.5	0.5
Onchocerca volvulus		0.0101	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0101	0.5	0.5
Mycobacterium ulcerans	hydrolase	0.0101	0.5	0.5
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0101	0.5	0.5
Onchocerca volvulus	Putative hydrolase PNKD	0.0101	0.5	0.5
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0101	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0101	0.5	0.5
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0101	0.5	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.0101	0.5	0.5
Trypanosoma brucei	glyoxalase II	0.0101	0.5	0.5
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0101	0.5	0.5
Trypanosoma cruzi	glyoxalase II	0.0101	0.5	0.5
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0101	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0101	0.5	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.0101	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0101	0.5	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0101	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0101	0.5	0.5
Trypanosoma cruzi	glyoxalase II	0.0101	0.5	0.5
Echinococcus granulosus	zinc phosphodiesterase	0.0101	0.5	0.5
Mycobacterium tuberculosis	Conserved protein	0.0101	0.5	0.5
Leishmania major	hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative	0.0101	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.5	0.5
Plasmodium vivax	unspecified product	0.0101	0.5	0.5
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0101	0.5	0.5
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0101	0.5	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0101	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0101	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0101	0.5	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0101	0.5	0.5
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0101	0.5	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0101	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.5	0.5
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0101	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0101	0.5	0.5
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0101	0.5	0.5
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0101	0.5	0.5
Schistosoma mansoni	zinc phosphodiesterase	0.0101	0.5	0.5
Giardia lamblia	Metallo-beta-lactamase superfamily protein	0.0101	0.5	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0101	0.5	0.5
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0101	0.5	0.5
Leishmania major	metallo-beta-lactamase family protein-like protein	0.0101	0.5	0.5
Schistosoma mansoni	zinc phosphodiesterase	0.0101	0.5	0.5
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0101	0.5	0.5
Mycobacterium tuberculosis	Beta lactamase like protein	0.0101	0.5	0.5
Trypanosoma cruzi	glyoxalase II	0.0101	0.5	0.5
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0101	0.5	0.5
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0101	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.5	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0101	0.5	0.5
Leishmania major	metallo-beta-lactamase family-like protein	0.0101	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0101	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.5	0.5
Echinococcus multilocularis	ETHE1 protein	0.0101	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0101	0.5	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0101	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0101	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.5	0.5
Leishmania major	cleavage and polyadenylation specificity factor, putative	0.0101	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0101	0.5	0.5
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0101	0.5	0.5
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0101	0.5	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0101	0.5	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0101	0.5	0.5
Mycobacterium ulcerans	hydrolase	0.0101	0.5	0.5
Echinococcus multilocularis	zinc phosphodiesterase	0.0101	0.5	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0101	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0101	0.5	0.5
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0101	0.5	0.5
Brugia malayi	hypothetical protein	0.0101	0.5	0.5
Mycobacterium ulcerans	glyoxalase II, GloB	0.0101	0.5	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0101	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0101	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0101	0.5	0.5
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0101	0.5	0.5
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0101	0.5	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0101	0.5	0.5
Plasmodium falciparum	cytosolic glyoxalase II	0.0101	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.5	0.5
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0101	0.5	0.5
Chlamydia trachomatis	ribonuclease Z	0.0101	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.5	0.5
Mycobacterium tuberculosis	Conserved protein	0.0101	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0101	0.5	0.5
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0101	0.5	0.5
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0101	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0101	0.5	0.5
Trichomonas vaginalis	A-type flavoprotein	0.0101	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.5	0.5
Onchocerca volvulus		0.0101	0.5	0.5
Mycobacterium ulcerans	hydrolase	0.0101	0.5	0.5
Treponema pallidum	ribonuclease Z	0.0101	0.5	0.5
Echinococcus granulosus	ETHE1 protein	0.0101	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0101	0.5	0.5
Mycobacterium tuberculosis	Conserved protein	0.0101	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0101	0.5	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: CHEMBL2322184

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1729310