TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.371 | Formula: C21H19F6NO3
H donors: 1 H acceptors: 2 LogP: 5.06 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c2ccc(cc2c2c(c1=O)c(OC)ccc2)C(C(F)(F)F)(C(F)(F)F)O
InChi: 1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)13-6-5-7-16(31-2)17(13)18(28)29/h5-9,11,30H,3-4,10H2,1-2H3
InChiKey: MCJLQQDKOZPAHG-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	chromodomain helicase DNA binding protein, putative	0.0007	0.0054	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0228	0.1955
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.007	0.007
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0054	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0323	0.7628	0.5
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0014	0.0228	0.0228
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Echinococcus multilocularis	enteropeptidase	0.0014	0.0228	0.0228
Echinococcus granulosus	transmembrane protease serine 3	0.0014	0.0228	0.0228
Onchocerca volvulus		0.003	0.0603	0.4006
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0053	0.1165	1
Mycobacterium ulcerans	cell division protein FtsZ	0.0323	0.7628	1
Treponema pallidum	cell division protein FtsZ	0.0323	0.7628	0.5
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0014	0.0228	0.0228
Brugia malayi	Trypsin family protein	0.0014	0.0228	0.0614
Echinococcus multilocularis	cpg binding protein	0.0031	0.0644	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0228	0.1955
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0053	0.1165	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0228	0.1955
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.007	0.007
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Loa Loa (eye worm)	trypsin family protein	0.0014	0.0228	0.1955
Trypanosoma cruzi	hypothetical protein, conserved	0.0053	0.1165	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0113	0.0113
Brugia malayi	Protein kinase domain containing protein	0.0053	0.1165	0.3139
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0603	0.5178
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0113	0.0113
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.007	0.007
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Brugia malayi	hypothetical protein	0.0014	0.0228	0.0614
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Schistosoma mansoni	cpg binding protein	0.003	0.0603	0.0603
Brugia malayi	Cell division protein ftsZ	0.0155	0.3604	0.9713
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0014	0.0228	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0228	0.1955
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0228	0.1955
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Brugia malayi	Trypsin-like protease protein 5	0.0014	0.0228	0.0614
Plasmodium falciparum	cysteine repeat modular protein 1	0.0053	0.1165	1
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0014	0.0228	0.0228
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.1238	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0228	0.1955
Trichomonas vaginalis	helicase, putative	0.0007	0.0054	1
Echinococcus granulosus	Mastin	0.0014	0.0228	0.0228
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Schistosoma mansoni	cpg binding protein	0.0031	0.0644	0.0644
Mycobacterium leprae	cell division protein FtsZ	0.0323	0.7628	0.5
Echinococcus granulosus	cpg binding protein	0.0031	0.0644	0.0644
Toxoplasma gondii	kringle domain-containing protein	0.0053	0.1165	0.9409
Echinococcus multilocularis	tissue type plasminogen activator	0.0053	0.1165	0.1165
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Onchocerca volvulus		0.0053	0.1165	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1399	0.1399
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Echinococcus multilocularis	transmembrane protease serine 3	0.0014	0.0228	0.0228
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0054	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0054	1
Brugia malayi	Trypsin family protein	0.0014	0.0228	0.0614
Echinococcus granulosus	tissue type plasminogen activator	0.0053	0.1165	0.1165
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Echinococcus granulosus	enteropeptidase	0.0014	0.0228	0.0228
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.007	0.007
Schistosoma mansoni	cpg binding protein	0.0031	0.0644	0.0644
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Schistosoma mansoni	hypothetical protein	0.0053	0.1165	0.1165
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0014	0.0228	0.0228
Brugia malayi	Trypsin family protein	0.0014	0.0228	0.0614
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.011	0.0297
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0054	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0113	0.0971
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1165	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0054	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0054	1
Brugia malayi	Trypsin family protein	0.0014	0.0228	0.0614
Echinococcus multilocularis	Mastin	0.0014	0.0228	0.0228
Brugia malayi	Kringle domain containing protein	0.0053	0.1165	0.3139
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0323	0.7628	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Brugia malayi	Cell division protein ftsZ	0.016	0.3711	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0054	1
Schistosoma mansoni	hypothetical protein	0.0014	0.0228	0.0228
Echinococcus granulosus	glycoprotein Antigen 5	0.0014	0.0228	0.0228
Echinococcus multilocularis	glycoprotein Antigen 5	0.0014	0.0228	0.0228
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0014	0.0228	0.0228
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0054	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0014	0.0228	0.0228
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0014	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0228	0.1955
Brugia malayi	CXXC zinc finger family protein	0.003	0.0603	0.1625
Leishmania major	hypothetical protein, conserved	0.0053	0.1165	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: CHEMBL1765166

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1510659