TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 423.399 | Formula: C19H25F4NO5
H donors: 0 H acceptors: 2 LogP: 3.93 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(CC(=O)OC(C(F)(F)F)C)cc(c1OCC(=O)N(CC)CC)F
InChi: 1S/C19H25F4NO5/c1-5-24(6-2)16(25)11-28-18-14(20)8-13(9-15(18)27-7-3)10-17(26)29-12(4)19(21,22)23/h8-9,12H,5-7,10-11H2,1-4H3
InChiKey: PTLVVYGWQRUMBS-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
Mycobacterium leprae	PROBABLE CONSERVED TRANSMEMBRANE PROTEIN	0.0048	0.1888	0.5
Echinococcus multilocularis	cubilin	0.0028	0.0608	0.0608
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0048	0.1888	1
Brugia malayi	Kelch motif family protein	0.0028	0.0608	0.3223
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Schistosoma mansoni	dock	0.0048	0.1888	0.1888
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Schistosoma mansoni	hypothetical protein	0.0171	1	1
Schistosoma mansoni	hypothetical protein	0.0171	1	1
Echinococcus granulosus	cubilin	0.0028	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Brugia malayi	Zinc metalloproteinase toh-2 precursor	0.0028	0.0608	0.3223
Onchocerca volvulus		0.0048	0.1888	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0028	0.0608	0.3223
Echinococcus multilocularis	Tolloid protein 1	0.0028	0.0608	0.0608
Echinococcus granulosus	CUB	0.0028	0.0608	0.0608
Brugia malayi	zinc metalloproteinase toh-2 precursor	0.0028	0.0608	0.3223
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0048	0.1888	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0443	0.2346
Onchocerca volvulus		0.0048	0.1888	1
Trichomonas vaginalis	hypothetical protein	0.0048	0.1888	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Schistosoma mansoni	discoidin domain receptor	0.0048	0.1888	0.1888
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Brugia malayi	Suppressor of lurcher protein 1 precursor	0.0028	0.0608	0.3223
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0	0.5
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0048	0.1888	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0608	0.0608
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Echinococcus granulosus	discoidin domain containing receptor 2	0.0048	0.1888	0.1888
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0028	0.0608	0.0608
Echinococcus multilocularis	Coagulation factor 5 8 type, C terminal	0.0048	0.1888	0.1888
Loa Loa (eye worm)	CUB domain-containing protein	0.0028	0.0608	0.1625
Echinococcus multilocularis	geminin	0.0171	1	1
Echinococcus multilocularis	cubilin	0.0028	0.0608	0.0608
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0028	0.0608	0.1625
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0443	0.2346
Schistosoma mansoni	hypothetical protein	0.0028	0.0608	0.0608
Brugia malayi	Nematode astacin protease protein 30	0.0028	0.0608	0.3223
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1888	0.5041
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0443	0.1182
Echinococcus multilocularis	neuropilin (nrp) and tolloid (tll)	0.0028	0.0608	0.0608
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Plasmodium vivax	LCCL domain-containing protein	0.0048	0.1888	1
Echinococcus granulosus	discoidin domain containing receptor 2	0.0048	0.1888	0.1888
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0048	0.1888	0.1888
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Schistosoma mansoni	neuropilin (nrp) and tolloid (tll)-like	0.0028	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Echinococcus multilocularis	CUB	0.0028	0.0608	0.0608
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0443	0.7278
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0608	0.3223
Loa Loa (eye worm)	hypothetical protein	0.0076	0.3744	1
Brugia malayi	CUB domain containing protein	0.0028	0.0608	0.3223
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0048	0.1888	1
Loa Loa (eye worm)	CUB domain-containing protein	0.0028	0.0608	0.1625
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0048	0.1888	0.1888
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0048	0.1888	0.1888
Schistosoma mansoni	hypothetical protein	0.0028	0.0608	0.0608
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Brugia malayi	hypothetical protein	0.0028	0.0608	0.3223
Plasmodium falciparum	LCCL domain-containing protein	0.0048	0.1888	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Brugia malayi	CUB domain containing protein	0.0028	0.0608	0.3223
Brugia malayi	Protein kinase domain containing protein	0.0048	0.1888	1
Echinococcus granulosus	Tolloid protein 1	0.0028	0.0608	0.0608
Echinococcus multilocularis	nuclear receptor 2C2 associated protein	0.0048	0.1888	0.1888
Toxoplasma gondii	PA14 domain-containing protein	0.0048	0.1888	1
Schistosoma mansoni	septate junction protein	0.0048	0.1888	0.1888
Brugia malayi	CUB domain containing protein	0.0028	0.0608	0.3223
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0028	0.0608	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0	0.5
Loa Loa (eye worm)	DPY-31 protein	0.0028	0.0608	0.1625
Schistosoma mansoni	hypothetical protein	0.0048	0.1888	0.1888
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0028	0.0608	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0048	0.1888	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1888	0.5041
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Brugia malayi	Lectin C-type domain containing protein	0.0028	0.0608	0.3223
Plasmodium falciparum	LCCL domain-containing protein	0.0048	0.1888	1
Loa Loa (eye worm)	zinc metalloproteinase toh-2	0.0028	0.0608	0.1625
Brugia malayi	hypothetical protein	0.0026	0.0443	0.2346
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0048	0.1888	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0443	0.7278
Echinococcus granulosus	discoidin domain containing receptor 2	0.0048	0.1888	0.1888
Schistosoma mansoni	neuropilin (nrp) and tolloid (tll)-like	0.0028	0.0608	0.0608
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Schistosoma mansoni	hypothetical protein	0.0028	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0608	0.1625
Leishmania major	hypothetical protein, conserved	0.0026	0.0443	1
Echinococcus granulosus	Coagulation factor 5 8 type C terminal	0.0048	0.1888	0.1888
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Brugia malayi	CUB domain containing protein	0.0028	0.0608	0.3223
Mycobacterium tuberculosis	Possible arabinofuranosyltransferase AftD	0.0048	0.1888	1
Loa Loa (eye worm)	lectin C-type domain-containing protein	0.0028	0.0608	0.1625
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Brugia malayi	CUB domain containing protein	0.0028	0.0608	0.3223
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1888	1
Brugia malayi	Nematode astacin protease protein 30	0.0028	0.0608	0.3223
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0028	0.0608	1
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0028	0.0608	0.1625
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0443	0.2346
Schistosoma mansoni	discoidin domain receptor	0.0048	0.1888	0.1888
Schistosoma mansoni	btb and poz domain-containing protein	0.0048	0.1888	0.1888
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0443	0.7278
Echinococcus multilocularis	discoidin domain receptor	0.0048	0.1888	0.1888
Schistosoma mansoni	hypothetical protein	0.0028	0.0608	0.0608
Schistosoma mansoni	hypothetical protein	0.0028	0.0608	0.0608
Brugia malayi	astacin protease protein 30	0.0028	0.0608	0.3223
Echinococcus granulosus	discoidin domain receptor	0.0048	0.1888	0.1888
Echinococcus granulosus	cubilin	0.0028	0.0608	0.0608
Plasmodium vivax	LCCL domain-containing protein	0.0048	0.1888	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0443	0.2346
Echinococcus granulosus	neuropilin nrp and tolloid tll	0.0028	0.0608	0.0608

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Displacement of [3H]MK801 from NMDA receptor in Sprague-Dawley rat cerebral cortex membrane at 50 umol by liquid scintillation counting	ChEMBL.	25462263
Activity (binding)	= 55.6 %	Displacement of [3H]EBOB from GABAA receptor in Sprague-Dawley rat frontoparietal cortex membrane at 50 umol by liquid scintillation counting	ChEMBL.	25462263

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: CHEMBL3354326

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 946925