TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 569.469 | Formula: C24H26F7N3O5
H donors: 2 H acceptors: 5 LogP: 2.47 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Fc1ccc(cc1)CN1CCC2(CC1)OCCN(C2)c1ccccn1
InChi: 1S/C20H24FN3O.2C2HF3O2/c21-18-6-4-17(5-7-18)15-23-11-8-20(9-12-23)16-24(13-14-25-20)19-3-1-2-10-22-19;2*3-2(4,5)1(6)7/h1-7,10H,8-9,11-16H2;2*(H,6,7)
InChiKey: VVKFFKKRAPQHQK-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	Animal haem peroxidase family protein	0.0417	0.4932	0.4932
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0267	0.2803	0.2803
Loa Loa (eye worm)	thioredoxin reductase	0.0772	1	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Onchocerca volvulus		0.0417	0.4932	1
Onchocerca volvulus	Peroxidase homolog	0.0417	0.4932	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0772	1	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Onchocerca volvulus		0.0417	0.4932	1
Loa Loa (eye worm)	animal heme peroxidase	0.0417	0.4932	0.4932
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0267	0.2803	0.2803
Brugia malayi	Animal haem peroxidase family protein	0.0417	0.4932	0.4932
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0267	0.2803	0.2803
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0267	0.2803	0.2803
Echinococcus multilocularis	geminin	0.0205	0.1907	0.1907
Trichomonas vaginalis	glutathione reductase, putative	0.0267	0.2803	1
Schistosoma mansoni	peroxidasin	0.0417	0.4932	0.4932
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0267	0.2803	0.2803
Trypanosoma cruzi	trypanothione reductase, putative	0.0772	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0772	1	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.008	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Toxoplasma gondii	NADPH-glutathione reductase	0.0267	0.2803	0.2803
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0267	0.2803	0.2803
Brugia malayi	Animal haem peroxidase family protein	0.0417	0.4932	0.4932
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0196	0.179	0.179
Loa Loa (eye worm)	animal heme peroxidase	0.0417	0.4932	0.4932
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0267	0.2803	1
Echinococcus granulosus	peroxidasin	0.0417	0.4932	0.4932
Plasmodium falciparum	glutathione reductase	0.0772	1	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0772	1	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1907	0.1907
Loa Loa (eye worm)	glutathione reductase	0.0772	1	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Plasmodium falciparum	thioredoxin reductase	0.0772	1	1
Onchocerca volvulus		0.0417	0.4932	1
Onchocerca volvulus	Dual oxidase homolog	0.0417	0.4932	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0196	0.179	0.179
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0267	0.2803	0.2803
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0267	0.2803	1
Plasmodium vivax	glutathione reductase, putative	0.0772	1	1
Plasmodium vivax	thioredoxin reductase, putative	0.0772	1	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0267	0.2803	0.2803
Onchocerca volvulus	Peroxidasin homolog	0.0417	0.4932	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0267	0.2803	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0267	0.2803	0.2803
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0267	0.2803	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Brugia malayi	Animal haem peroxidase family protein	0.0417	0.4932	0.4932
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0267	0.2803	0.2803
Trichomonas vaginalis	mercuric reductase, putative	0.0267	0.2803	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.008	0.0125	0.0125
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0267	0.2803	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0267	0.2803	0.2803
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	0.2979	0.2979
Brugia malayi	follicle stimulating hormone receptor	0.028	0.2979	0.2979
Loa Loa (eye worm)	animal heme peroxidase	0.0417	0.4932	0.4932
Schistosoma mansoni	hypothetical protein	0.0205	0.1907	0.1907
Onchocerca volvulus	Chorion peroxidase homolog	0.0417	0.4932	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Brugia malayi	Animal haem peroxidase family protein	0.0417	0.4932	0.4932
Treponema pallidum	NADH oxidase	0.0267	0.2803	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0267	0.2803	0.2803
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Toxoplasma gondii	thioredoxin reductase	0.0772	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0267	0.2803	0.2803
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0267	0.2803	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0267	0.2803	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.008	0.0125	0.0125
Trypanosoma brucei	trypanothione reductase	0.0772	1	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Leishmania major	trypanothione reductase	0.0772	1	1
Brugia malayi	Peroxidasin	0.0417	0.4932	0.4932
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0267	0.2803	0.2803
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.008	0.0125	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.008	0.0125	0.0125
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0267	0.2803	0.2803
Echinococcus multilocularis	peroxidasin	0.0417	0.4932	0.4932
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0267	0.2803	1
Brugia malayi	Blistered cuticle protein 3	0.0417	0.4932	0.4932
Plasmodium falciparum	thioredoxin reductase	0.0267	0.2803	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Plasmodium falciparum	glutathione reductase	0.0267	0.2803	0.2803
Loa Loa (eye worm)	animal heme peroxidase	0.0417	0.4932	0.4932
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.008	0.0125	0.0125
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0267	0.2803	0.2803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Onchocerca volvulus	Peroxidasin homolog	0.0417	0.4932	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0125	0.0125
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Brugia malayi	hypothetical protein	0.0417	0.4932	0.4932
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2951	0.2951
Loa Loa (eye worm)	blistered cuticle protein 3	0.0417	0.4932	0.4932
Brugia malayi	Thioredoxin reductase	0.0772	1	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0267	0.2803	0.2803
Echinococcus granulosus	geminin	0.0205	0.1907	0.1907
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0267	0.2803	0.2803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0417	0.4932	0.4932
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.008	0.0125	0.0125
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0267	0.2803	0.2803
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0267	0.2803	1
Schistosoma mansoni	peroxidasin	0.0417	0.4932	0.4932
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0125	0.0125
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0267	0.2803	0.2803
Trypanosoma cruzi	trypanothione reductase, putative	0.0267	0.2803	0.2803
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0267	0.2803	0.2803
Onchocerca volvulus	Peroxidase homolog	0.0417	0.4932	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

ChEMBL: CHEMBL3503197

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2076271