TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.451 | Formula: C22H27F2NO3
H donors: 1 H acceptors: 1 LogP: 4.53 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCC1(CCN(CC1)Cc1ccccc1OC(F)F)Cc1ccc(cc1)OC
InChi: 1S/C22H27F2NO3/c1-27-19-8-6-17(7-9-19)14-22(16-26)10-12-25(13-11-22)15-18-4-2-3-5-20(18)28-21(23)24/h2-9,21,26H,10-16H2,1H3
InChiKey: DFLHBBIPHZGCNW-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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)	transcription factor SMAD2	0.013	1	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.432	0.432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.432	0.432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Giardia lamblia	GTOR	0.0018	0.0641	0.5
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0641	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0095	0.0796
Brugia malayi	RNA binding protein	0.0062	0.432	0.432
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.432	0.432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0095	0.0796
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2889	0.6688
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0641	0.1484
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2889	0.6688
Toxoplasma gondii	FATC domain-containing protein	0.0024	0.119	1
Echinococcus granulosus	serine protein kinase ATM	0.0024	0.119	0.2755
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0907	0.0907
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2889	0.2889
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0641	0.0641
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.432	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0018	0.0641	0.5386
Echinococcus granulosus	tar DNA binding protein	0.0062	0.432	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0641	0.0641
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2889	0.6688
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0095	0.0095
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0024	0.119	0.2755
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0641	0.4987
Loa Loa (eye worm)	MH2 domain-containing protein	0.013	1	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0641	0.4987
Echinococcus multilocularis	serine protein kinase ATM	0.0024	0.119	0.2755
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0641	0.0641
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2889	0.6688
Entamoeba histolytica	hypothetical protein	0.0024	0.119	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.432	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0641	0.1484
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0641	0.1484
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2889	0.6688
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.432	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0018	0.0641	0.5386
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0641	0.1484
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2889	0.2889
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0024	0.119	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0641	0.4987
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0641	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0641	0.1484
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.0644	0.541
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.432	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0024	0.119	0.119
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2889	0.6688
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0641	0.5386
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.0644	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0641	0.5386
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.432	0.432
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.119	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Brugia malayi	TAR-binding protein	0.0062	0.432	0.432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0641	0.0641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0641	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2889	0.6688
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.432	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0641	0.1484
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.0907	0.7623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0641	0.5386
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.432	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0024	0.119	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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 776449