TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.398 | Formula: C20H22F2N2O
H donors: 1 H acceptors: 1 LogP: 2.97 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)CNCCC1CCC(=O)N1Cc1ccccc1F
InChi: 1S/C20H22F2N2O/c21-17-7-5-15(6-8-17)13-23-12-11-18-9-10-20(25)24(18)14-16-3-1-2-4-19(16)22/h1-8,18,23H,9-14H2
InChiKey: NUXBURWTIMDKAZ-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	Fibronectin type III domain containing protein	0.0015	0.0048	0.0869
Onchocerca volvulus		0.0094	0.0556	1
Plasmodium falciparum	glycogen synthase kinase 3	0.0094	0.0556	0.5
Trypanosoma brucei	protein kinase, putative	0.0094	0.0556	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Echinococcus multilocularis	protein kinase shaggy	0.0094	0.0556	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0015	0.0048	0.0869
Brugia malayi	hypothetical protein	0.0015	0.0048	0.0869
Schistosoma mansoni	cell adhesion molecule	0.0015	0.0048	0.0869
Echinococcus granulosus	defective proboscis extension response	0.0015	0.0048	0.0869
Giardia lamblia	Kinase, CMGC GSK	0.0094	0.0556	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0015	0.0048	0.0869
Schistosoma mansoni	vesicular amine transporter	0.0015	0.0048	0.0869
Echinococcus granulosus	twitchin	0.0016	0.0054	0.0973
Echinococcus multilocularis	roundabout 2	0.0015	0.0048	0.0869
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0094	0.0556	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Echinococcus granulosus	protein kinase shaggy	0.0094	0.0556	1
Entamoeba histolytica	protein kinase domain containing protein	0.0094	0.0556	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0018	0.0066	0.1188
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0015	0.0048	0.0869
Echinococcus multilocularis	Immunoglobulin	0.0015	0.0048	0.0869
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0094	0.0556	1
Giardia lamblia	Kinase, CMGC GSK	0.0094	0.0556	0.5
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0094	0.0556	1
Echinococcus granulosus	Immunoglobulin	0.0015	0.0048	0.0869
Echinococcus granulosus	roundabout 2	0.0015	0.0048	0.0869
Trichomonas vaginalis	conserved hypothetical protein	0.1554	1	1
Echinococcus multilocularis	neuroglian	0.0015	0.0048	0.0869
Brugia malayi	intracellular kinase	0.0094	0.0556	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0094	0.0556	0.5
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0094	0.0556	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0048	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Trichomonas vaginalis	hypothetical protein	0.1554	1	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0015	0.0048	0.0869
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0094	0.0556	0.5
Echinococcus granulosus	neuroglian	0.0015	0.0048	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Trichomonas vaginalis	conserved hypothetical protein	0.1554	1	1
Echinococcus multilocularis	Immunoglobulin	0.0015	0.0048	0.0869
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0009	0.0006	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.1554	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.1554	1	1
Entamoeba histolytica	protein kinase, putative	0.0094	0.0556	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Trichomonas vaginalis	conserved hypothetical protein	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.0066	0.1188
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0048	0.0869
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0094	0.0556	1
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0094	0.0556	1
Schistosoma mansoni	nephrin	0.0015	0.0048	0.0869
Entamoeba histolytica	protein kinase domain containing protein	0.0094	0.0556	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0094	0.0556	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 810121