TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.424 | Formula: C20H26F4N2O5
H donors: 1 H acceptors: 3 LogP: 2.85 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(F)(F)F.Fc1cccc(c1)N1CCC2(CC1)OCC(C2)OCC(=O)N(C)C
InChi: 1S/C18H25FN2O3.C2HF3O2/c1-20(2)17(22)13-23-16-11-18(24-12-16)6-8-21(9-7-18)15-5-3-4-14(19)10-15;3-2(4,5)1(6)7/h3-5,10,16H,6-9,11-13H2,1-2H3;(H,6,7)
InChiKey: MDHZJVHJHXAGBY-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
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0306	0.0065
Brugia malayi	6-phosphofructokinase	0.0127	0.2064	0.1943
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.015	0.02
Schistosoma mansoni	alpha-glucosidase	0.0135	0.2225	0.7621
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Trypanosoma brucei	hypothetical protein	0.0131	0.2136	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0306	0.0569
Onchocerca volvulus		0.0045	0.0504	0.2875
Loa Loa (eye worm)	acetyltransferase	0.0169	0.2873	0.2858
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0306	0.0589
Trypanosoma cruzi	polo-like protein kinase, putative	0.0091	0.1381	0.5876
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0151	0.013
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0157	0.2644	0.2629
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Schistosoma mansoni	hypothetical protein	0.0051	0.0615	0.1706
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0358	0.6484	0.5
Mycobacterium ulcerans	6-phosphofructokinase	0.0127	0.2064	0.3162
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Onchocerca volvulus		0.0027	0.0151	0.0003
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0306	0.0158
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0157	0.2644	0.2532
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Loa Loa (eye worm)	hypothetical protein	0.0542	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0151	0.013
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.059	1
Brugia malayi	Doublecortin family protein	0.0045	0.0504	0.0359
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0045	0.0504	0.1298
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0358	0.6484	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.059	1
Schistosoma mansoni	lipoxygenase	0.0045	0.0504	0.1298
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0306	0.0065
Loa Loa (eye worm)	doublecortin family protein	0.0045	0.0504	0.0484
Schistosoma mansoni	serine/threonine protein kinase	0.0091	0.1381	0.452
Loa Loa (eye worm)	hypothetical protein	0.0027	0.015	0.013
Leishmania major	ATP-dependent phosphofructokinase	0.0127	0.2064	0.964
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0358	0.6484	1
Echinococcus granulosus	geminin	0.0163	0.2764	0.9931
Plasmodium vivax	multidomain scavenger receptor, putative	0.0045	0.0504	0.0748
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0157	0.2644	0.9158
Echinococcus granulosus	lipoxygenase domain containing protein	0.0045	0.0504	0.1343
Schistosoma mansoni	alpha glucosidase	0.0035	0.0306	0.0569
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.2064	0.9609
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.015	0.02
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0504	0.0484
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0151	0.013
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0358	0.6484	1
Echinococcus multilocularis	RUN	0.0045	0.0504	0.1298
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0504	0.0484
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0127	0.2062	0.7262
Brugia malayi	serine/threonine-protein kinase plk-2	0.0091	0.1381	0.125
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0169	0.2873	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0091	0.1381	1
Mycobacterium ulcerans	hypothetical protein	0.0027	0.015	0.02
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0306	0.0811
Brugia malayi	phosphofructokinase	0.0127	0.2064	0.1943
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0034	0.0294	0.0751
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.059	0.088
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0294	0.0423
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0131	0.2136	1
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0306	0.0782
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0294	0.0423
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.015	0.0232
Schistosoma mansoni	hypothetical protein	0.0163	0.2764	0.9601
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0127	0.2064	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0091	0.1381	0.452
Brugia malayi	hypothetical protein	0.0045	0.0504	0.0359
Schistosoma mansoni	polycystin 1-related	0.0045	0.0504	0.1298
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0091	0.1381	0.4675
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.015	0.0232
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0501	0.117
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2064	1
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0127	0.2064	0.3184
Schistosoma mansoni	loxhd1	0.0045	0.0504	0.1298
Loa Loa (eye worm)	phosphofructokinase	0.0127	0.2064	0.2048
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.059	0.1669
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Schistosoma mansoni	hypothetical protein	0.0163	0.2764	0.9601
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0169	0.2873	0.2764
Trypanosoma brucei	polo-like protein kinase	0.0091	0.1381	0.5876
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0141	0.0121
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.2064	0.2048
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0306	0.0065
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.015	0.02
Echinococcus granulosus	lysosomal alpha glucosidase	0.0157	0.2644	0.9474
Schistosoma mansoni	kinase	0.0046	0.0524	0.1372
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.015	0.02
Trypanosoma brucei	calpain-like protein, putative	0.0131	0.2136	1
Brugia malayi	hypothetical protein	0.0045	0.0504	0.0359
Echinococcus multilocularis	geminin	0.0163	0.2764	0.9601
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0358	0.6484	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0045	0.0504	0.1343
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Schistosoma mansoni	lipoxygenase	0.0127	0.2062	0.702
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0131	0.2136	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0091	0.1381	0.643
Echinococcus multilocularis	Polycystic kidney disease protein	0.0045	0.0504	0.1298
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.015	0.02
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0046	0.0511	0.1993
Brugia malayi	6-phosphofructokinase	0.0127	0.2064	0.1943
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0358	0.6484	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0091	0.1381	0.1363
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0294	0.0423
Plasmodium falciparum	LCCL domain-containing protein	0.0045	0.0504	0.0748
Echinococcus granulosus	Polycystic kidney disease protein	0.0045	0.0504	0.1343
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Schistosoma mansoni	rab6-interacting	0.0045	0.0504	0.1298
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.059	0.1671
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.059	0.1671
Echinococcus multilocularis	6 phosphofructokinase	0.0127	0.2064	0.7029
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.015	0.02
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0045	0.0504	0.1298
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0294	0.0423
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.2064	0.2048
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0091	0.1381	0.6199
Plasmodium falciparum	histone acetyltransferase GCN5	0.0046	0.0511	0.0758
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0504	0.1298
Onchocerca volvulus		0.0091	0.1377	0.9966
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Trypanosoma cruzi	polo-like protein kinase, putative	0.0091	0.1381	0.5876
Schistosoma mansoni	rab6-interacting	0.0045	0.0504	0.1298
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.2064	0.7029
Trypanosoma brucei	calpain, putative	0.0131	0.2136	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0127	0.2062	0.702
Entamoeba histolytica	acetyltransferase, GNAT family	0.0046	0.0511	0.1883
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0021	0.0032
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2064	1
Schistosoma mansoni	alpha-glucosidase	0.0135	0.2225	0.7621
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0306	0.039
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0306	0.0285
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.2064	0.9609
Onchocerca volvulus		0.0045	0.0504	0.2875
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0164	0.2782	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0294	0.0423
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0294	0.0423
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0358	0.6484	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.015	0.013
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0358	0.6484	1
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0501	0.117
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0157	0.2644	0.9158
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.015	0.02
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Giardia lamblia	Kinase, PLK	0.0091	0.1381	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2064	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0306	0.0065
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0169	0.2873	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0306	0.0811
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.015	0.013
Echinococcus granulosus	RUN	0.0045	0.0504	0.1343
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0127	0.2064	1
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.2064	0.7029
Onchocerca volvulus		0.0027	0.0151	0.0003
Echinococcus granulosus	6 phosphofructokinase	0.0127	0.2064	0.7272

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: CHEMBL3501882

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2075956