TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.526 | Formula: C23H33N3O3
H donors: 1 H acceptors: 3 LogP: 3.44 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(C(=O)c1cn(cc(c1=O)C(=O)NC1CC1)C1CCCCC1)CC1CC1
InChi: 1S/C23H33N3O3/c1-2-12-25(13-16-8-9-16)23(29)20-15-26(18-6-4-3-5-7-18)14-19(21(20)27)22(28)24-17-10-11-17/h14-18H,2-13H2,1H3,(H,24,28)
InChiKey: XHFQKATULSJEMZ-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
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0037	0.0319	0.0327
Trypanosoma cruzi	aurora B kinase, putative	0.0549	0.9735	1
Brugia malayi	nicalin	0.0037	0.0319	0.0328
Echinococcus granulosus	twitchin	0.0021	0.0039	0.004
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0037	0.0319	0.0328
Toxoplasma gondii	peptidase, M28 family protein	0.0037	0.0319	0.0328
Loa Loa (eye worm)	AUR protein kinase	0.0549	0.9735	0.9735
Echinococcus granulosus	aurora kinase A	0.0549	0.9735	1
Loa Loa (eye worm)	AUR protein kinase	0.0549	0.9735	0.9735
Schistosoma mansoni	serine/threonine protein kinase	0.0549	0.9735	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0319	0.0319
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0037	0.0319	0.0327
Entamoeba histolytica	protein kinase, putative	0.0549	0.9735	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0549	0.9735	1
Toxoplasma gondii	aurora kinase	0.0549	0.9735	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0029	0.0175	0.3098
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0037	0.0319	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0549	0.9735	1
Loa Loa (eye worm)	hypothetical protein	0.0513	0.908	0.908
Trichomonas vaginalis	AGC family protein kinase	0.0549	0.9735	1
Entamoeba histolytica	protein kinase domain containing protein	0.0549	0.9735	0.5
Mycobacterium leprae	putative cytochrome p450	0.0019	0	0.5
Brugia malayi	Cytochrome P450 family protein	0.0061	0.0764	0.0784
Schistosoma mansoni	nicalin (M28 family)	0.0037	0.0319	0.0328
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0037	0.0319	0.0328
Brugia malayi	serine/threonine kinase 12	0.0549	0.9735	1
Leishmania major	hypothetical protein, conserved	0.0037	0.0319	0.0328
Onchocerca volvulus	Fxna peptidase homolog	0.0037	0.0319	0.5
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.036	0.6269	0.644
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0549	0.9735	0.5
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0549	0.9735	0.5
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0549	0.9735	0.9981
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0037	0.0319	0.0328
Trypanosoma brucei	glutaminyl cyclase, putative	0.0037	0.0319	0.0328
Trichomonas vaginalis	AGC family protein kinase	0.0549	0.9735	1
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0175	0.018
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.005	0.0566	1
Loa Loa (eye worm)	CYP4Cod1	0.0029	0.0175	0.0175
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.0764	0.0764
Onchocerca volvulus	Fxna peptidase homolog	0.0037	0.0319	0.5
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0037	0.0319	0.0328
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0175	0.018
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0037	0.0319	0.0328
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0549	0.9735	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0319	0.0319
Leishmania major	cytochrome p450-like protein	0.0029	0.0175	0.018
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0175	0.018
Leishmania major	glutaminyl cyclase, putative	0.0037	0.0319	0.0328
Brugia malayi	leucyl aminopeptidase	0.0037	0.0319	0.0328
Entamoeba histolytica	protein kinase , putative	0.0549	0.9735	0.5
Entamoeba histolytica	protein kinase, putative	0.0549	0.9735	0.5
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0037	0.0319	0.0328
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0037	0.0319	0.0328
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0549	0.9735	1
Leishmania major	protein kinase, putative	0.0549	0.9735	1
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.005	0.0566	1
Onchocerca volvulus	Fxna peptidase homolog	0.0037	0.0319	0.5
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0319	0.5643
Schistosoma mansoni	protein kinase	0.0549	0.9735	1
Mycobacterium leprae	Conserved hypothetical protein	0.0019	0	0.5
Trypanosoma brucei	aurora B kinase	0.0549	0.9735	1
Trypanosoma brucei	cytochrome P450, putative	0.0029	0.0175	0.018
Brugia malayi	serine/threonine-protein kinase 6	0.0549	0.9735	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0319	0.5643
Brugia malayi	serine/threonine protein kinase 6	0.0549	0.9735	1
Giardia lamblia	Aurora kinase	0.0549	0.9735	0.5
Loa Loa (eye worm)	leucyl aminopeptidase	0.0037	0.0319	0.0319
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0175	0.018
Echinococcus multilocularis	aurora kinase A	0.0549	0.9735	0.9981
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.055	0.9753	1
Brugia malayi	FXNA	0.0037	0.0319	0.0328
Loa Loa (eye worm)	AUR protein kinase	0.0549	0.9735	0.9735
Loa Loa (eye worm)	hypothetical protein	0.0374	0.6516	0.6516
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0549	0.9735	0.5
Onchocerca volvulus		0.0037	0.0319	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0175	0.0175
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0037	0.0319	0.0328
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0549	0.9735	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0319	0.0319
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0037	0.0319	0.0327
Brugia malayi	Peptidase family M28 containing protein	0.0037	0.0319	0.0328
Toxoplasma gondii	hypothetical protein	0.0037	0.0319	0.0328

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 806527