TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 458.602 | Formula: C27H31F3NS+
H donors: 0 H acceptors: 0 LogP: 9.74 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1ccc(cc1)Sc1c[n+](CCCCCC2CCCCC2)c2c(c1)cccc2)(F)F
InChi: 1S/C27H31F3NS/c28-27(29,30)23-14-16-24(17-15-23)32-25-19-22-12-6-7-13-26(22)31(20-25)18-8-2-5-11-21-9-3-1-4-10-21/h6-7,12-17,19-21H,1-5,8-11,18H2/q+1
InChiKey: VEMAERWOBDTPIE-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	tyrosine kinase	0.0008	0.0355	0.0355
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.6259	0.6259
Echinococcus granulosus	acetylcholinesterase	0.0039	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.6259	0.6259
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.6259	0.6259
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.6259	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.6259	0.6259
Schistosoma mansoni	adapter molecule crk	0.0007	0.0058	0.0058
Brugia malayi	hypothetical protein	0.0013	0.1879	0.1879
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0008	0.0355	0.0355
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.6259	0.6259
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.6259	0.6259
Onchocerca volvulus		0.0013	0.1879	0.3001
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.6259	0.6259
Schistosoma mansoni	nuclear hormone receptor	0.0013	0.1879	0.1879
Brugia malayi	steroid hormone receptor	0.0027	0.6259	0.6259
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.6259	0.6259
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.6259	0.6259
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0008	0.0355	0.0355
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0014	0.2348	0.2348
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.6259	0.6259
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.6259	0.6259
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0008	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0008	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0013	0.1879	0.1879
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.6259	0.6259
Brugia malayi	nuclear hormone receptor	0.0027	0.6259	0.6259
Brugia malayi	nuclear hormone receptor family member odr-7	0.0013	0.1879	0.1879
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0007	0	0.5
Brugia malayi	ecdysone receptor	0.0013	0.1879	0.1879
Echinococcus granulosus	growth factor receptor bound protein 2	0.0007	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Trichomonas vaginalis	spcc417.12 protein, putative	0.0007	0	0.5
Brugia malayi	hypothetical protein	0.0014	0.2348	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Brugia malayi	SRC-1	0.0008	0.0355	0.0355
Brugia malayi	nuclear receptor NHR-88	0.0027	0.6259	0.6259
Echinococcus multilocularis	acetylcholinesterase	0.0039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Echinococcus granulosus	acetylcholinesterase	0.0039	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.6259	0.6259
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0007	0.0058	0.0058
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.6259	0.6259
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.6259	0.6259
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0008	0.0355	0.0355
Echinococcus granulosus	nuclear receptor nhr 48	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0014	0.2348	0.2348
Loa Loa (eye worm)	DR-78	0.0013	0.1879	0.1879
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0014	0.2348	0.2348
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.6259	0.6259
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.6259	0.6259
Brugia malayi	conserved hypotetical protein	0.0013	0.1879	0.1879
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0013	0.1879	0.1879
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.6259	0.6259
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0027	0.6259	0.6259
Loa Loa (eye worm)	hypothetical protein	0.0014	0.2348	0.2348
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0008	0.0355	0.0355
Brugia malayi	Tyrosine-protein kinase abl-1	0.0008	0.0355	0.0355
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0013	0.1879	0.1879
Brugia malayi	Nuclear hormone receptor E75	0.0013	0.1879	0.1879
Schistosoma mansoni	nuclear receptor	0.0013	0.1879	0.1879
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.6259	0.6259
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0013	0.1879	0.1879
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0013	0.1879	0.1879
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0008	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Brugia malayi	Sex muscle abnormal protein 5	0.0007	0.0058	0.0058
Schistosoma mansoni	tyrosine kinase	0.0008	0.0355	0.0355
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0007	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.2348	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0039	1	1
Schistosoma mansoni	nuclear receptor	0.0013	0.1879	0.1879
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0013	0.1879	0.1879
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Loa Loa (eye worm)	hypothetical protein	0.0039	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.6259	0.6259
Echinococcus granulosus	carboxylesterase 5A	0.0039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.2348	0.2348
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0014	0.2348	0.2348
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.6259	0.6259
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.6259	0.6259
Brugia malayi	nuclear receptor RXR	0.0014	0.2348	0.2348
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.6259	0.6259
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.2348	0.2348
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.6259	0.6259
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.6259	0.6259
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0008	0.0355	0.0355
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0008	0.0355	0.0355
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.6259	0.6259
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0008	0.0355	0.0355
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.6259	0.6259
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0008	0.0355	0.0355
Loa Loa (eye worm)	acetylcholinesterase 1	0.0039	1	1
Brugia malayi	nuclear hormone receptor	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0014	0.2348	0.2348
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.6259	0.6259
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0008	0.0355	0.0355
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0008	0.0355	0.0355
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.6259	0.6259
Schistosoma mansoni	tyrosine kinase	0.0008	0.0355	0.0355
Echinococcus granulosus	c src tyrosine kinase	0.0008	0.0355	0.0355
Brugia malayi	Variant SH3 domain containing protein	0.0007	0.0058	0.0058
Schistosoma mansoni	coup transcription factor	0.0027	0.6259	0.6259
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.6259	0.6259
Schistosoma mansoni	zinc finger protein	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0013	0.1879	0.1879
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0013	0.1879	0.1879
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.6259	0.6259
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0013	0.1879	0.1879
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.6259	0.6259
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.6259	0.6259
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.6259	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.6259	0.6259
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.6259	0.6259
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.6259	0.6259
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0039	1	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0008	0.0355	0.0355
Echinococcus multilocularis	acetylcholinesterase	0.0039	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.6259	0.6259
Brugia malayi	nuclear receptor RXR	0.0013	0.1879	0.1879
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.6259	0.6259
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0007	0.0058	0.0058
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0013	0.1879	0.1879
Schistosoma mansoni	nck2/grb4	0.0007	0.0058	0.0058
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.6259	0.6259
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0008	0.0355	0.0355
Echinococcus granulosus	thyroid hormone receptor alpha	0.0013	0.1879	0.1879
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0007	0	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0007	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0008	0.0355	0.0355
Brugia malayi	hypothetical protein	0.0014	0.2348	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0014	0.2348	0.2348
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.6259	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.2348	0.2348
Brugia malayi	Carboxylesterase family protein	0.0039	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0007	0	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.0013	0.1879	0.1879
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.6259	0.6259
Onchocerca volvulus		0.0027	0.6259	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0007	0.0058	0.0058
Brugia malayi	nuclear receptor NHR-67	0.0013	0.1879	0.1879
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.6259	0.6259
Schistosoma mansoni	growth factor receptor-bound protein	0.0007	0.0058	0.0058
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0008	0.0355	0.0355
Onchocerca volvulus		0.0013	0.1879	0.3001
Mycobacterium ulcerans	carboxylesterase, LipT	0.0007	0	0.5
Brugia malayi	ecdysteroid receptor	0.0027	0.6259	0.6259
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.6259	0.6259
Echinococcus multilocularis	carboxylesterase 5A	0.0039	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.6259	0.6259
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0008	0.0355	0.0355
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.6259	0.6259
Echinococcus multilocularis	NCK adaptor protein	0.0007	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Loa Loa (eye worm)	carboxylesterase	0.0039	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0013	0.1879	0.3001
Echinococcus granulosus	NCK adaptor protein	0.0007	0.0058	0.0058
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0013	0.1879	0.1879
Brugia malayi	hypothetical protein	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Echinococcus multilocularis	nuclear receptor nhr 48	0.0013	0.1879	0.1879
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.6259	0.6259
Brugia malayi	Variant SH3 domain containing protein	0.0007	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0058	0.0058
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.6259	0.6259
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0013	0.1879	0.3001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.6259	0.6259
Brugia malayi	Nuclear hormone receptor E75	0.0013	0.1879	0.1879
Schistosoma mansoni	tyrosine kinase	0.0008	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0027	0.6259	0.6259
Loa Loa (eye worm)	SRC-1	0.0008	0.0355	0.0355
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.6259	0.6259
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.6259	0.6259
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.6259	0.6259
Schistosoma mansoni	nuclear hormone receptor	0.0013	0.1879	0.1879
Brugia malayi	tailless protein	0.0013	0.1879	0.1879
Brugia malayi	orphan nuclear receptor NR2E1	0.0013	0.1879	0.1879
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0007	0.0058	0.0058
Loa Loa (eye worm)	nuclear hormone receptor	0.0013	0.1879	0.1879
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0008	0.0355	0.0355
Brugia malayi	nuclear receptor NHR-88	0.0013	0.1879	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.6259	0.6259
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0008	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1879	0.1879
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0013	0.1879	0.1879
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0008	0.0355	0.0355
Echinococcus multilocularis	c src tyrosine kinase	0.0008	0.0355	0.0355
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.6259	0.6259
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.6259	0.6259
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0014	0.2348	0.2348

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: CHEMBL1789818

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 1572581