TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 453.39 | Formula: C20H19F4N5O3
H donors: 1 H acceptors: 5 LogP: 1.6 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(F)(F)F.Fc1cccc(c1)CC(=O)N1CCn2c(C1)nc(c2)Cn1cccn1
InChi: 1S/C18H18FN5O.C2HF3O2/c19-15-4-1-3-14(9-15)10-18(25)23-8-7-22-11-16(21-17(22)13-23)12-24-6-2-5-20-24;3-2(4,5)1(6)7/h1-6,9,11H,7-8,10,12-13H2;(H,6,7)
InChiKey: LQHBMXOTMCXKGP-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
Loa Loa (eye worm)	hypothetical protein	0.0027	0.015	0.013
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0358	0.6484	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0046	0.0511	0.0758
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.015	0.02
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0157	0.2644	0.9158
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0169	0.2873	1
Onchocerca volvulus		0.0045	0.0504	0.2875
Brugia malayi	phosphofructokinase	0.0127	0.2064	0.1943
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0127	0.2062	0.7262
Schistosoma mansoni	alpha-glucosidase	0.0135	0.2225	0.7621
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.059	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0504	0.1298
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0294	0.0423
Echinococcus granulosus	Polycystic kidney disease protein	0.0045	0.0504	0.1343
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0294	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0504	0.0484
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0091	0.1381	0.452
Loa Loa (eye worm)	hypothetical protein	0.0027	0.015	0.013
Schistosoma mansoni	serine/threonine protein kinase	0.0091	0.1381	0.452
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Trypanosoma brucei	polo-like protein kinase	0.0091	0.1381	0.5876
Echinococcus multilocularis	RUN	0.0045	0.0504	0.1298
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0131	0.2136	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2064	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0294	0.0423
Leishmania major	ATP-dependent phosphofructokinase	0.0127	0.2064	0.964
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0091	0.1381	0.6199
Brugia malayi	hypothetical protein	0.0045	0.0504	0.0359
Schistosoma mansoni	lipoxygenase	0.0127	0.2062	0.702
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Giardia lamblia	Kinase, PLK	0.0091	0.1381	1
Loa Loa (eye worm)	hypothetical protein	0.0542	1	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0034	0.0294	0.0751
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0306	0.0811
Entamoeba histolytica	acetyltransferase, GNAT family	0.0046	0.0511	0.1883
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0358	0.6484	1
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.2064	0.7029
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.015	0.02
Giardia lamblia	Histone acetyltransferase GCN5	0.0046	0.0511	0.1993
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.2064	0.7029
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0306	0.0065
Echinococcus granulosus	lipoxygenase domain containing protein	0.0045	0.0504	0.1343
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0164	0.2782	1
Schistosoma mansoni	loxhd1	0.0045	0.0504	0.1298
Onchocerca volvulus		0.0027	0.0151	0.0003
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0358	0.6484	1
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2064	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0358	0.6484	1
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0358	0.6484	1
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2064	1
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
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
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0306	0.0158
Loa Loa (eye worm)	phosphofructokinase	0.0127	0.2064	0.2048
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0358	0.6484	0.5
Schistosoma mansoni	hypothetical protein	0.0051	0.0615	0.1706
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0091	0.1381	0.1363
Schistosoma mansoni	polycystin 1-related	0.0045	0.0504	0.1298
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.015	0.02
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0306	0.0065
Schistosoma mansoni	kinase	0.0046	0.0524	0.1372
Mycobacterium ulcerans	hypothetical protein	0.0027	0.015	0.02
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0306	0.0569
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.015	0.02
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0358	0.6484	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0306	0.0811
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0157	0.2644	0.2629
Brugia malayi	6-phosphofructokinase	0.0127	0.2064	0.1943
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0091	0.1381	1
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0131	0.2136	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0169	0.2873	1
Onchocerca volvulus		0.0027	0.0151	0.0003
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)	hypothetical protein	0.0027	0.015	0.013
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Echinococcus multilocularis	6 phosphofructokinase	0.0127	0.2064	0.7029
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Echinococcus multilocularis	Polycystic kidney disease protein	0.0045	0.0504	0.1298
Schistosoma mansoni	rab6-interacting	0.0045	0.0504	0.1298
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.2064	0.9609
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.2064	0.9609
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.059	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0294	0.0423
Brugia malayi	serine/threonine-protein kinase plk-2	0.0091	0.1381	0.125
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0306	0.0065
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0306	0.0589
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.015	0.02
Loa Loa (eye worm)	acetyltransferase	0.0169	0.2873	0.2858
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0504	0.0484
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.059	0.088
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.059	0.1671
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0045	0.0504	0.1298
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Plasmodium falciparum	LCCL domain-containing protein	0.0045	0.0504	0.0748
Onchocerca volvulus		0.0045	0.0504	0.2875
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.015	0.02
Schistosoma mansoni	hypothetical protein	0.0163	0.2764	0.9601
Plasmodium vivax	multidomain scavenger receptor, putative	0.0045	0.0504	0.0748
Trypanosoma cruzi	polo-like protein kinase, putative	0.0091	0.1381	0.5876
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0157	0.2644	0.9158
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0091	0.1381	0.643
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.059	0.1671
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.059	0.1669
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Schistosoma mansoni	alpha glucosidase	0.0035	0.0306	0.0569
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0501	0.117
Onchocerca volvulus		0.0091	0.1377	0.9966
Echinococcus granulosus	lysosomal alpha glucosidase	0.0157	0.2644	0.9474
Echinococcus granulosus	6 phosphofructokinase	0.0127	0.2064	0.7272
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.2064	0.2048
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0306	0.0782
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0306	0.039
Echinococcus granulosus	lipoxygenase domain containing protein	0.0045	0.0504	0.1343
Trypanosoma brucei	calpain-like protein, putative	0.0131	0.2136	1
Echinococcus multilocularis	geminin	0.0163	0.2764	0.9601
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0127	0.2062	0.702
Trypanosoma brucei	hypothetical protein	0.0131	0.2136	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0091	0.1381	0.4675
Echinococcus granulosus	RUN	0.0045	0.0504	0.1343
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0127	0.2064	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.015	0.0232
Schistosoma mansoni	lipoxygenase	0.0045	0.0504	0.1298
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0151	0.013
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Schistosoma mansoni	alpha-glucosidase	0.0135	0.2225	0.7621
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0294	0.0423
Mycobacterium ulcerans	6-phosphofructokinase	0.0127	0.2064	0.3162
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.015	0.02
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0127	0.2064	0.3184
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0141	0.0121
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Brugia malayi	hypothetical protein	0.0045	0.0504	0.0359
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Schistosoma mansoni	hypothetical protein	0.0163	0.2764	0.9601
Brugia malayi	6-phosphofructokinase	0.0127	0.2064	0.1943
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0045	0.0504	0.1298
Loa Loa (eye worm)	doublecortin family protein	0.0045	0.0504	0.0484
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.015	0.0232
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0131	0.2136	1
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0127	0.2064	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2064	1
Echinococcus granulosus	geminin	0.0163	0.2764	0.9931
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0306	0.0285
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0358	0.6484	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0306	0.0065
Entamoeba histolytica	fatty acid elongase, putative	0.0046	0.0528	0.1972
Brugia malayi	acetyltransferase, GNAT family protein	0.0169	0.2873	0.2764
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
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
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0131	0.2136	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.2064	0.2048
Trichomonas vaginalis	CAMK family protein kinase	0.0091	0.1381	0.6141
Trypanosoma brucei	calpain, putative	0.0131	0.2136	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0021	0.0032
Trichomonas vaginalis	CAMK family protein kinase	0.0045	0.0501	0.117
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0157	0.2644	0.2532
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0294	0.0423
Schistosoma mansoni	rab6-interacting	0.0045	0.0504	0.1298
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0151	0.013
Brugia malayi	Doublecortin family protein	0.0045	0.0504	0.0359

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: CHEMBL3501777

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2075955