TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.42 | Formula: C19H25N3O4
H donors: 1 H acceptors: 3 LogP: 0.75 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)OCc1ccc(cc1)NC(=O)N1CCC(C1)CN1CCCC1=O
InChi: 1S/C19H25N3O4/c1-14(23)26-13-15-4-6-17(7-5-15)20-19(25)22-10-8-16(12-22)11-21-9-2-3-18(21)24/h4-7,16H,2-3,8-13H2,1H3,(H,20,25)
InChiKey: SXMBABTVPPGJJM-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
Brugia malayi	Protein kinase domain containing protein	0.0064	0.0639	0.0887
Brugia malayi	TAR-binding protein	0.0065	0.0651	0.0905
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0205	0.2876	0.2554
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0651	0.0229
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0651	1	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.0432	0.06
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.0432	0.06
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0064	0.0639	0.0845
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0205	0.2876	0.5
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0651	0.0905
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0071	0.0738	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0205	0.2876	0.2554
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0205	0.2876	0.2554
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0071	0.0737	0.1245
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.0134	0.1748	0.6078
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0205	0.2876	0.5
Schistosoma mansoni	alkaline phosphatase	0.0651	1	1
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0134	0.1748	0.5385
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0134	0.1748	0.5385
Echinococcus granulosus	dual specificity protein kinase clk2	0.0064	0.0639	0.0216
Brugia malayi	Stress-activated protein kinase jnk-1	0.0476	0.7201	1
Giardia lamblia	Kinase, CMGC CLK	0.0064	0.0639	0.0845
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0064	0.0639	0.0887
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0205	0.2876	1
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0064	0.0639	0.0845
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0063	0.0622	0.0777
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0651	1	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Schistosoma mansoni	serine/threonine protein kinase	0.0064	0.0639	0.0216
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0141	0.1864	0.2589
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0205	0.2876	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0064	0.0639	0.0845
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0205	0.2876	0.2554
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0134	0.1748	0.5385
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0064	0.0639	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0134	0.175	0.243
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0651	0.0229
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0476	0.7201	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0134	0.175	0.1377
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0205	0.2876	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0205	0.2876	0.2554
Plasmodium vivax	serine/threonine kinase-1, putative	0.0064	0.0639	0.0845
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0071	0.0737	0.1023
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0064	0.0639	0.0216
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0205	0.2876	0.2554
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0134	0.175	0.243
Echinococcus granulosus	hypothetical protein	0.0063	0.0608	0.0184
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0205	0.2876	1
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0205	0.2876	1
Schistosoma mansoni	serine/threonine protein kinase	0.0064	0.0639	0.0216
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0651	0.0905
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Schistosoma mansoni	serine/threonine protein kinase	0.0476	0.7201	0.7074
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0476	0.7201	0.7074
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0205	0.2876	1
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0071	0.0738	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0651	0.0229
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Brugia malayi	RNA binding protein	0.0065	0.0651	0.0905
Echinococcus multilocularis	alkaline phosphatase	0.0651	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0651	0.0905
Schistosoma mansoni	alkaline phosphatase	0.0651	1	1
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0205	0.2876	1
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0064	0.0639	0.0845
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0651	0.0905
Brugia malayi	intracellular kinase	0.0052	0.0432	0.06
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0205	0.2876	0.5
Echinococcus granulosus	alkaline phosphatase	0.0651	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0651	0.0229
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0651	1	1
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0205	0.2876	1
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0651	0.0229
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0651	1	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0063	0.0622	0.0777
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0205	0.2876	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0651	0.0229
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0205	0.2876	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0064	0.0639	0.0845
Onchocerca volvulus		0.0052	0.0432	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0063	0.0622	0.0777
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0052	0.0432	0.1503
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0205	0.2876	1
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0134	0.175	0.243
Leishmania major	protein kinase, putative	0.0064	0.0639	0.2221
Echinococcus granulosus	c-Jun N-terminal kinases	0.0476	0.7201	0.7074
Entamoeba histolytica	protein kinase, putative	0.0052	0.0432	0.1503
Plasmodium falciparum	protein serine/threonine kinase-1	0.0064	0.0639	0.0845
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0205	0.2876	0.2554
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.0432	0.1503
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0063	0.0622	0.0777
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0205	0.2876	0.3994
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0134	0.175	0.5392
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0141	0.1864	0.2589
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0134	0.175	0.5392
Schistosoma mansoni	hypothetical protein	0.0338	0.5009	0.4783
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0608	0.0845
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0134	0.1748	0.5385
Trichomonas vaginalis	CMGC family protein kinase	0.0064	0.0639	0.0845
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0063	0.0622	0.0777
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0063	0.0622	0.0864
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0205	0.2876	1
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.0432	0.1503
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0651	1	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0205	0.2876	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0064	0.0639	0.0845
Leishmania major	protein kinase, putative	0.0064	0.0639	0.2221
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0651	0.0229
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0134	0.175	0.1377
Echinococcus multilocularis		0.0063	0.0608	0.0184
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0205	0.2876	0.2554
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0205	0.2876	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 30 uM	Antiparasitic activity against axenic amastigotes of Leishmania donovani	ChEMBL.	20846867
EC50 (functional)	= 43 uM	Antiparasitic activity against blood stream form of Trypanosoma brucei rhodesiense	ChEMBL.	20846867
EC50 (functional)	= 181 uM	Antiparasitic activity against amastigotes of Trypanosoma cruzi	ChEMBL.	20846867

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: CHEMBL1255101

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1461357