TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.853 | Formula: C21H21ClF2N2O3
H donors: 1 H acceptors: 2 LogP: 4.72 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)F)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1Cl)CCCO2
InChi: 1S/C21H21ClF2N2O3/c1-21(2,3)26(20(28)13-7-6-12(23)11-16(13)24)25-19(27)15-8-9-17-14(18(15)22)5-4-10-29-17/h6-9,11H,4-5,10H2,1-3H3,(H,25,27)
InChiKey: GKYYGLBLKCGFDB-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
Schistosoma mansoni	hypothetical protein	0.0047	0.0103	0.0228
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0106	0.0423	1
Brugia malayi	von Willebrand Factor	0.0035	0.0036	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0132	0.0683
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.0423	0.3823
Schistosoma mansoni	6-phosphofructokinase	0.0106	0.0423	0.0978
Onchocerca volvulus		0.0047	0.0103	0.0888
Echinococcus multilocularis	musashi	0.0053	0.0137	0.0131
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0006	0.0006
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0035	0.0036	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Echinococcus multilocularis	lamin	0.0053	0.0137	0.0131
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.095	0.5013
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0006	0.0016
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0044	0.0038
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.11	0.1095
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0035	0.0036	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.0137	0.0711
Echinococcus granulosus	collagen alpha 1VII chain	0.0035	0.0036	0.0036
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0106	0.0423	1
Echinococcus multilocularis	6 phosphofructokinase	0.0106	0.0423	0.0418
Treponema pallidum	76K protein	0.0035	0.0036	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0226	0.1074	0.5672
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0044	0.0367
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0035	0.0036	0.0301
Onchocerca volvulus		0.0035	0.0036	0.0278
Leishmania major	ATP-dependent phosphofructokinase	0.0106	0.0423	1
Schistosoma mansoni	6-phosphofructokinase	0.0106	0.0423	0.0978
Schistosoma mansoni	hypothetical protein	0.0035	0.0036	0.0071
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0169	0.331
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0003	0.5
Echinococcus multilocularis	collagen alpha 1(VII) chain	0.0035	0.0036	0.003
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.0137	0.0711
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0044	0.0038
Brugia malayi	hypothetical protein	0.023	0.11	0.5808
Loa Loa (eye worm)	hypothetical protein	0.0376	0.1892	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0044	1
Echinococcus granulosus	6 phosphofructokinase	0.0106	0.0423	0.0423
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Mycobacterium ulcerans	6-phosphofructokinase	0.0106	0.0423	1
Plasmodium vivax	von Willebrand factor A domain-related protein, putative	0.0035	0.0036	1
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0035	0.0036	0.0178
Echinococcus granulosus	intermediate filament protein	0.0053	0.0137	0.0137
Toxoplasma gondii	microneme protein MIC2	0.0035	0.0036	0.199
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Brugia malayi	Pre-SET motif family protein	0.0029	0.0006	0.0016
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0169	0.0383
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1867	1	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0044	0.0038
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Plasmodium vivax	circumsporozoite- and TRAP-related protein, putative	0.0035	0.0036	1
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0035	0.0036	0.0786
Brugia malayi	Cache domain containing protein	0.0376	0.1892	1
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0035	0.0036	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0169	0.0169
Schistosoma mansoni	hypothetical protein	0.0439	0.2233	0.5214
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0849	0.4465	0.4462
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0003	0.5
Brugia malayi	6-phosphofructokinase	0.0106	0.0423	0.2226
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0411	0.208	0.4858
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0044	0.0088
Brugia malayi	6-phosphofructokinase	0.0106	0.0423	0.2226
Entamoeba histolytica	hypothetical protein, conserved	0.0035	0.0036	0.0786
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.0423	0.3823
Brugia malayi	Zona pellucida-like domain containing protein	0.0035	0.0036	0.0178
Schistosoma mansoni	lamin	0.0053	0.0137	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Brugia malayi	follicle stimulating hormone receptor	0.0226	0.1074	0.5672
Echinococcus multilocularis	lamin dm0	0.0053	0.0137	0.0131
Plasmodium falciparum	von Willebrand factor A domain-related protein	0.0035	0.0036	1
Brugia malayi	Pre-SET motif family protein	0.0203	0.095	0.5013
Onchocerca volvulus		0.0035	0.0036	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.0423	0.3823
Loa Loa (eye worm)	CUTiclin-Like family member	0.0035	0.0036	0.0178
Loa Loa (eye worm)	phosphofructokinase	0.0106	0.0423	0.2226
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0169	0.0164
Entamoeba histolytica	hypothetical protein, conserved	0.0035	0.0036	0.0786
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.0137	0.0711
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.1102	1
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0849	0.4465	0.4465
Entamoeba histolytica	phosphofructokinase, putative	0.0106	0.0423	1
Entamoeba histolytica	phosphofructokinase, putative	0.0106	0.0423	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0815	0.4277	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0044	0.0216
Plasmodium vivax	thrombospondin-related anonymous protein	0.0035	0.0036	1
Onchocerca volvulus		0.0035	0.0036	0.0278
Onchocerca volvulus		0.0035	0.0036	0.0278
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Schistosoma mansoni	intermediate filament proteins	0.0053	0.0137	0.0307
Plasmodium vivax	SET domain protein, putative	0.0029	0.0006	0.0778
Entamoeba histolytica	phosphofructokinase, putative	0.0106	0.0423	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0035	0.0036	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0006	0.0155
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Onchocerca volvulus		0.0035	0.0036	0.0278
Echinococcus granulosus	expressed protein	0.0364	0.1824	0.1824
Loa Loa (eye worm)	6-phosphofructokinase	0.0106	0.0423	0.2226
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0106	0.0423	0.5
Echinococcus granulosus	lamin	0.0053	0.0137	0.0137
Schistosoma mansoni	hypothetical protein	0.0035	0.0036	0.0071
Schistosoma mansoni	lamin	0.0053	0.0137	0.0307
Loa Loa (eye worm)	CUTiclin family member	0.0035	0.0036	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0137	0.0711
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Brugia malayi	Zona pellucida-like domain containing protein	0.0035	0.0036	0.0178
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0044	0.0367
Brugia malayi	phosphofructokinase	0.0106	0.0423	0.2226
Schistosoma mansoni	serine-rich repeat protein	0.0439	0.2233	0.5214
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0044	0.0044
Treponema pallidum	hypothetical protein	0.0035	0.0036	0.0059
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0044	0.0088
Onchocerca volvulus		0.0231	0.1102	1
Plasmodium vivax	dynein-related AAA-type ATPase, putative	0.0035	0.0036	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0169	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0044	0.0216
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0103	0.0531
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0044	0.0044
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Echinococcus multilocularis	expressed protein	0.0364	0.1824	0.182
Onchocerca volvulus		0.0053	0.0137	0.1197
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0106	0.0423	0.0744
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0169	0.0383
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.0423	0.3823
Treponema pallidum	methyl-accepting chemotaxis protein (mcp2-1)	0.1067	0.5648	1
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0044	0.0367
Loa Loa (eye worm)	6-phosphofructokinase	0.0106	0.0423	0.2226
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0103	0.0228
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0036	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0035	0.0036	0.0178
Onchocerca volvulus		0.0035	0.0036	0.0278
Brugia malayi	von Willebrand factor type A domain containing protein	0.0035	0.0036	0.0178
Entamoeba histolytica	hypothetical protein	0.0035	0.0036	0.0786
Brugia malayi	hypothetical protein	0.0035	0.0036	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0036	0.0044	0.096
Brugia malayi	intermediate filament protein	0.0053	0.0137	0.0711
Onchocerca volvulus		0.0053	0.0137	0.1197
Echinococcus granulosus	lamin dm0	0.0053	0.0137	0.0137
Toxoplasma gondii	von Willebrand factor type A domain-containing protein	0.0035	0.0036	0.199
Loa Loa (eye worm)	hypothetical protein	0.023	0.11	0.5808
Onchocerca volvulus		0.0035	0.0036	0.0278
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0106	0.0423	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.11	0.11
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0036	0.0178

Activities

Activity type	Activity value	Assay description	Source	Reference
LC50 (functional)	= 5.69 mg/L	Larvicidal activity against Oriental armyworm	ChEMBL.	17897833

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

No external resources registered for this compound

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 505397