TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 308.373 | Formula: C16H24N2O4
H donors: 1 H acceptors: 2 LogP: 1.3 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCNCCC1CCC(=O)N1Cc1ccc(o1)C(=O)OCC
InChi: 1S/C16H24N2O4/c1-3-17-10-9-12-5-8-15(19)18(12)11-13-6-7-14(22-13)16(20)21-4-2/h6-7,12,17H,3-5,8-11H2,1-2H3
InChiKey: LGHHYJDFRHZLCI-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	ATP binding cassette subfamily B (MDR:TAP)	0.0032	0.9661	0.9661
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Schistosoma mansoni	smdr2	0.0032	0.9661	0.9661
Plasmodium vivax	multidrug resistance protein 1, putative	0.0032	0.9661	1
Loa Loa (eye worm)	oxidoreductase	0.0032	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	1	1
Entamoeba histolytica	P-glycoprotein-2	0.0032	0.9661	0.9661
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0032	0.9661	0.9661
Echinococcus multilocularis	aldo keto reductase	0.0032	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.5416	0.5416
Giardia lamblia	Aldose reductase	0.0032	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0032	0.9661	0.9661
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0032	0.9661	0.5
Trypanosoma brucei	aldo-keto reductase, putative	0.0032	1	1
Toxoplasma gondii	aldose reductase, putative	0.0032	1	1
Onchocerca volvulus		0.0032	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Leishmania major	prostaglandin f synthase, putative	0.0032	1	1
Loa Loa (eye worm)	oxidoreductase	0.0032	1	1
Echinococcus granulosus	aldehyde reductase	0.0023	0.5829	0.5829
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Mycobacterium ulcerans	oxidoreductase	0.0032	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0032	0.9661	0.9661
Echinococcus granulosus	aldo keto reductase	0.0032	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Schistosoma mansoni	aldo-keto reductase	0.0032	1	1
Onchocerca volvulus		0.0032	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0032	0.9661	0.9661
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.5416	0.5416
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0032	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.5416	0.5416
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	1	1
Echinococcus granulosus	aldo keto reductase	0.0032	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.001	0	0.5
Trichomonas vaginalis	abcb9, putative	0.0032	0.9661	0.9661
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0032	0.9661	0.9661
Trypanosoma cruzi	aldo/keto reductase, putative	0.0032	1	1
Entamoeba histolytica	aldose reductase, putative	0.0032	1	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0032	0.9661	0.9661
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.5416	0.5416
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Entamoeba histolytica	aldose reductase, putative	0.0032	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0032	0.9661	0.9661
Trypanosoma cruzi	aldo-keto reductase	0.0032	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0032	0.9661	0.9661
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0032	0.9661	0.9661
Brugia malayi	multidrug resistance protein 3	0.0032	0.9661	0.9661
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0032	0.9661	0.9661
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0032	0.9661	0.9661
Trypanosoma brucei	prostaglandin f synthase	0.0032	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0032	0.9661	0.9661
Entamoeba histolytica	aldose reductase, putative	0.0032	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0032	0.9661	0.9661
Echinococcus multilocularis	aldo keto reductase	0.0032	1	1
Loa Loa (eye worm)	oxidoreductase	0.0032	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0032	0.9661	0.9661
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.9508	0.9508
Giardia lamblia	Aldose reductase	0.0032	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0032	0.9661	0.9661
Echinococcus multilocularis	multidrug resistance protein 1	0.0032	0.9661	0.9661
Trichomonas vaginalis	ABC transporter, putative	0.0032	0.9661	0.9661
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0032	0.9661	0.9661
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0032	0.9661	0.9661
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0032	0.9661	0.9661
Entamoeba histolytica	P-glycoprotein-1	0.0032	0.9661	0.9661
Schistosoma mansoni	multidrug resistance protein	0.0032	0.9661	0.9661
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	abcb9, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0023	0.5829	0.5829
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0032	0.9661	0.9661
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0032	0.9661	0.9661
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.001	0	0.5
Onchocerca volvulus		0.0032	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Schistosoma mansoni	pol-related	0.0032	1	1
Plasmodium falciparum	multidrug resistance protein 1	0.0032	0.9661	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.9661	0.9661
Echinococcus granulosus	multidrug resistance protein 1	0.0032	0.9661	0.9661
Echinococcus multilocularis	multidrug resistance protein 1	0.0032	0.9661	0.9661
Echinococcus granulosus	multidrug resistance protein 1	0.0032	0.9661	0.9661
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0032	0.9661	0.9661
Trichomonas vaginalis	abcb9, putative	0.0032	0.9661	0.9661
Entamoeba histolytica	P-glycoprotein 5, putative	0.0032	0.9661	0.9661
Brugia malayi	ABC transporter family protein	0.0032	0.9661	0.9661
Loa Loa (eye worm)	hypothetical protein	0.0032	0.9661	0.9661
Schistosoma mansoni	multidrug resistance protein	0.0032	0.9661	0.9661
Entamoeba histolytica	P-glycoprotein-2	0.0032	0.9661	0.9661
Leishmania major	aldo-keto reductase-like protein	0.0032	1	1
Echinococcus granulosus	aldo keto reductase	0.0032	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Leishmania major	p-glycoprotein	0.0032	0.9661	0.9661
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0031	0.9508	0.9508
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0032	1	1
Schistosoma mansoni	multidrug resistance protein	0.0032	0.9661	0.9661
Onchocerca volvulus		0.0032	1	1
Onchocerca volvulus		0.0032	1	1
Trichomonas vaginalis	taga, putative	0.0032	0.9661	0.9661
Echinococcus granulosus	multidrug resistance protein 1	0.0032	0.9661	0.9661
Loa Loa (eye worm)	oxidoreductase	0.0032	1	1
Onchocerca volvulus		0.0032	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0032	0.9661	0.9661
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0032	0.9661	0.9661
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Echinococcus granulosus	hypothetical protein	0.0032	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0032	0.9661	0.9661
Schistosoma mansoni	aldo-keto reductase	0.0032	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0032	1	1
Loa Loa (eye worm)	oxidoreductase	0.0032	1	1
Echinococcus multilocularis	aldo keto reductase	0.0032	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0032	0.9661	0.9661
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Echinococcus multilocularis	aldo keto reductase	0.0032	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0032	0.9661	0.9661
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0032	0.9661	0.9661
Entamoeba histolytica	P-glycoprotein-5	0.0032	0.9661	0.9661
Echinococcus multilocularis	ATP binding cassette sub family B	0.0031	0.9508	0.9508
Echinococcus multilocularis	aldehyde reductase	0.0023	0.5829	0.5829
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	1	1

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

Search by Saint Jude

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 809995