TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 326.436 | Formula: C19H26N4O
H donors: 1 H acceptors: 2 LogP: 1.93 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: C=CCNCCC1CCC(=O)N1CCc1nc2c(n1C)cccc2
InChi: 1S/C19H26N4O/c1-3-12-20-13-10-15-8-9-19(24)23(15)14-11-18-21-16-6-4-5-7-17(16)22(18)2/h3-7,15,20H,1,8-14H2,2H3
InChiKey: AOGAZLPROYXKGM-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	multidrug resistance protein 3	0.002	0.51	0.51
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Plasmodium falciparum	multidrug resistance protein 1	0.002	0.51	1
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Echinococcus granulosus	aldo keto reductase	0.0031	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.002	0.51	0.51
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.002	0.51	0.51
Trichomonas vaginalis	abcb9, putative	0.002	0.51	0.51
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.2328	0.2328
Loa Loa (eye worm)	hypothetical protein	0.002	0.51	0.51
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.002	0.51	0.51
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.51	0.51
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.002	0.51	0.51
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Echinococcus granulosus	hypothetical protein	0.0031	1	1
Schistosoma mansoni	pol-related	0.0031	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.002	0.51	0.51
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.51	0.51
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.002	0.51	0.51
Mycobacterium ulcerans	oxidoreductase	0.0031	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Toxoplasma gondii	aldose reductase, putative	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Entamoeba histolytica	P-glycoprotein-5	0.002	0.51	0.51
Echinococcus granulosus	aldo keto reductase	0.0031	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.002	0.51	0.51
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.4999	0.4999
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.002	0.51	0.51
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	1	1
Leishmania major	prostaglandin f synthase, putative	0.0031	1	1
Schistosoma mansoni	multidrug resistance protein	0.002	0.51	0.51
Echinococcus granulosus	aldo keto reductase	0.0031	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.002	0.51	0.51
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.002	0.51	0.51
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.51	0.51
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.002	0.51	0.51
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.002	0.51	0.51
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.002	0.51	0.51
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.002	0.51	0.51
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	1	1
Trichomonas vaginalis	abcb9, putative	0.002	0.51	0.51
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Leishmania major	aldo-keto reductase-like protein	0.0031	1	1
Entamoeba histolytica	P-glyco protein 6, putative	0.002	0.51	0.51
Trichomonas vaginalis	ABC transporter, putative	0.002	0.51	0.51
Trichomonas vaginalis	ABC transporter, putative	0.002	0.51	0.51
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.2328	0.2328
Schistosoma mansoni	multidrug resistance protein	0.002	0.51	0.51
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.002	0.51	0.51
Trichomonas vaginalis	taga, putative	0.002	0.51	0.51
Brugia malayi	ABC transporter family protein	0.002	0.51	0.51
Entamoeba histolytica	aldose reductase, putative	0.0031	1	1
Onchocerca volvulus		0.0031	1	1
Giardia lamblia	Aldose reductase	0.0031	1	0.5
Entamoeba histolytica	aldose reductase, putative	0.0031	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.002	0.51	0.51
Onchocerca volvulus		0.002	0.51	0.51
Plasmodium vivax	multidrug resistance protein 1, putative	0.002	0.51	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.002	0.51	0.51
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.002	0.51	0.51
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.002	0.51	0.51
Echinococcus multilocularis	ATP binding cassette sub family B	0.002	0.4999	0.4999
Loa Loa (eye worm)	multidrug resistance protein 3	0.002	0.51	0.51
Entamoeba histolytica	P-glycoprotein-2, putative	0.002	0.51	0.51
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trypanosoma brucei	prostaglandin f synthase	0.0031	1	1
Entamoeba histolytica	P-glycoprotein-1	0.002	0.51	0.51
Onchocerca volvulus		0.0031	1	1
Schistosoma mansoni	aldo-keto reductase	0.0031	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.51	0.51
Trypanosoma cruzi	aldo-keto reductase	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	1	1
Trichomonas vaginalis	ABC transporter, putative	0.002	0.51	0.51
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.51	0.51
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.51	0.51
Giardia lamblia	Aldose reductase	0.0031	1	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.51	0.51
Entamoeba histolytica	P-glycoprotein-2	0.002	0.51	0.51
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.002	0.51	0.5
Schistosoma mansoni	multidrug resistance protein	0.002	0.51	0.51
Trichomonas vaginalis	ABC transporter, putative	0.002	0.51	0.51
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.002	0.51	0.51
Echinococcus multilocularis	multidrug resistance protein 1	0.0014	0.2328	0.2328
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.002	0.51	0.51
Schistosoma mansoni	aldo-keto reductase	0.0031	1	1
Onchocerca volvulus		0.0031	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	1	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	1	1
Entamoeba histolytica	P-glycoprotein-2	0.002	0.51	0.51
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.2328	0.2328
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.51	0.51
Onchocerca volvulus		0.0031	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.002	0.51	0.51
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.002	0.51	0.51
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.51	0.51
Leishmania major	p-glycoprotein	0.002	0.51	0.51
Echinococcus granulosus	aldehyde reductase	0.0022	0.5922	0.5922
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	1
Echinococcus multilocularis	aldehyde reductase	0.0022	0.5922	0.5922
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.002	0.51	0.51
Trichomonas vaginalis	abcb9, putative	0.002	0.51	0.51
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.002	0.4999	0.4999
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.002	0.51	0.51
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Entamoeba histolytica	aldose reductase, putative	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	1	1
Onchocerca volvulus		0.0031	1	1
Schistosoma mansoni	smdr2	0.002	0.51	0.51
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0022	0.5922	0.5922
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.51	0.51
Onchocerca volvulus		0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.51	0.51

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 817853