TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.355 | Formula: C17H21F3N2O4
H donors: 1 H acceptors: 2 LogP: 1.88 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCN1C(=O)NC(C(C1C)C(=O)OC)c1cccc(c1)C(F)(F)F
InChi: 1S/C17H21F3N2O4/c1-10-13(15(23)26-3)14(21-16(24)22(10)7-8-25-2)11-5-4-6-12(9-11)17(18,19)20/h4-6,9-10,13-14H,7-8H2,1-3H3,(H,21,24)
InChiKey: RSVJFSYTDHCFMC-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
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0192	0.2684	1
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0192	0.2684	1
Toxoplasma gondii	RNA-directed DNA polymerase	0.0192	0.2684	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0048	0.0197
Trypanosoma brucei	telomerase reverse transcriptase	0.0192	0.2684	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.09	0.371
Schistosoma mansoni	hypothetical protein	0.0174	0.2426	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0038	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0581	0.2242
Schistosoma mansoni	lamin	0.0033	0.0402	0.1657
Brugia malayi	MH2 domain containing protein	0.0009	0.0064	0.008
Echinococcus multilocularis	lamin	0.0033	0.0402	0.1489
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0167	0.0501
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0167	0.0501
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0581	0.2395
Schistosoma mansoni	cpg binding protein	0.0034	0.0416	0.1714
Brugia malayi	hypothetical protein	0.0155	0.2156	0.2968
Trichomonas vaginalis	helicase, putative	0.0007	0.0038	0.5
Leishmania major	telomerase reverse transcriptase, putative	0.0192	0.2684	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0581	0.2242
Plasmodium falciparum	telomerase reverse transcriptase	0.0192	0.2684	1
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0167	0.0222
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0074	0.0093
Brugia malayi	Telomerase reverse transcriptase	0.051	0.7251	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0064	0.0268
Echinococcus granulosus	smad	0.0009	0.0064	0.0067
Brugia malayi	MH1 domain containing protein	0.0009	0.0064	0.008
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0581	0.2395
Loa Loa (eye worm)	Smad1	0.0009	0.0064	0.0268
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0185	0.0247
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Echinococcus multilocularis	lamin dm0	0.0033	0.0402	0.1489
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0192	0.2684	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0038	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0064	0.0067
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0185	0.0832
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0581	0.2674
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0167	0.0501
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.1827	0.8467
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0402	0.1657
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0064	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0152	0.0677
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0038	0.5
Schistosoma mansoni	lamin	0.0033	0.0402	0.1657
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.016	0.0473
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.1827	0.8467
Echinococcus granulosus	lamin dm0	0.0033	0.0402	0.1489
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0064	0.0067
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0064	0.0067
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0076	0.0323
Echinococcus granulosus	intermediate filament protein	0.0033	0.0402	0.1489
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0402	0.1841
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0152	0.0677
Brugia malayi	Smad1	0.0009	0.0064	0.008
Brugia malayi	MH1 domain containing protein	0.0009	0.0064	0.008
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0167	0.0222
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0167	0.0688
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0038	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0076	0.0117
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Echinococcus multilocularis	smad	0.0009	0.0064	0.0067
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0064	0.0262
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0076	0.0117
Onchocerca volvulus		0.0033	0.0402	0.0013
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0393	0.1801
Echinococcus granulosus	geminin	0.0174	0.2426	1
Echinococcus granulosus	lamin	0.0033	0.0402	0.1489
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0167	0.0501
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0581	0.2242
Echinococcus multilocularis	musashi	0.0033	0.0402	0.1489
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0581	0.0794
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0064	0.0268
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.0797	0.2503
Schistosoma mansoni	cpg binding protein	0.0034	0.0416	0.1714
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0038	0.5
Brugia malayi	MH2 domain containing protein	0.0009	0.0064	0.008
Schistosoma mansoni	smad	0.0009	0.0064	0.0262
Echinococcus multilocularis	geminin	0.0174	0.2426	1
Echinococcus granulosus	cpg binding protein	0.0034	0.0416	0.1547
Loa Loa (eye worm)	hypothetical protein	0.0016	0.016	0.0717
Giardia lamblia	Telomerase catalytic subunit	0.0192	0.2684	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0167	0.0749
Schistosoma mansoni	cpg binding protein	0.0032	0.039	0.1607
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0402	0.0546
Echinococcus multilocularis	cpg binding protein	0.0034	0.0416	0.1547
Brugia malayi	intermediate filament protein	0.0033	0.0402	0.0546
Onchocerca volvulus		0.0155	0.2156	0.1838
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0064	0.0067
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0167	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0038	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0064	0.0262
Echinococcus multilocularis	Smad4	0.0009	0.0064	0.0067
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0167	0.0501
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0402	0.1841
Onchocerca volvulus		0.0033	0.0402	0.0013
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.5
Schistosoma mansoni	Smad4	0.0009	0.0064	0.0262
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.016	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0402	0.1841
Brugia malayi	CXXC zinc finger family protein	0.0032	0.039	0.053
Brugia malayi	MH2 domain containing protein	0.0132	0.1827	0.2513
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0038	0.5
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.039	0.1785
Schistosoma mansoni	hypothetical protein	0.0174	0.2426	1
Echinococcus granulosus	Smad4	0.0009	0.0064	0.0067
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0038	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0581	0.2395
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0064	0.0262
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0581	0.2242
Loa Loa (eye worm)	hypothetical protein	0.0155	0.2156	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0167	0.0501

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

ChEMBL: CHEMBL1698949

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1488111