TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 476.892 | Formula: C18H10ClFN6O3S2
H donors: 2 H acceptors: 6 LogP: 3.51 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cc(ccc1Oc1cc(Cl)c(cc1c1c[nH]nc1)F)S(=O)(=O)Nc1ncns1
InChi: 1S/C18H10ClFN6O3S2/c19-14-5-17(13(4-15(14)20)11-7-23-24-8-11)29-16-2-1-12(3-10(16)6-21)31(27,28)26-18-22-9-25-30-18/h1-5,7-9H,(H,23,24)(H,22,25,26)
InChiKey: CIZYRDHBWVMCGP-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	sodium channel, voltage-gated, type IX, alpha subunit	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania donovani	calcium channel protein, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania mexicana	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania infantum	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania major	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania braziliensis	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	Get druggable targets OG5_126819	All targets in OG5_126819

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	nuclear hormone receptor	0.0442	0.472	0.472
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0297	0.1788	0.3789
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Echinococcus multilocularis	histone deacetylase 6	0.0611	0.8128	0.8128
Plasmodium vivax	histone deacetylase 2, putative	0.0611	0.8128	0.772
Trypanosoma brucei	histone deacetylase 4	0.0611	0.8128	0.772
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0442	0.472	0.472
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0442	0.472	0.472
Onchocerca volvulus		0.0442	0.472	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0442	0.472	0.472
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0442	0.472	0.472
Brugia malayi	photoreceptor-specific nuclear receptor	0.0442	0.472	0.472
Brugia malayi	hypothetical protein	0.0234	0.0505	0.0505
Brugia malayi	Nuclear hormone receptor-like 1	0.0442	0.472	0.472
Brugia malayi	Histone deacetylase family protein	0.0611	0.8128	0.8128
Loa Loa (eye worm)	histone deacetylase 7A	0.0611	0.8128	0.8128
Echinococcus multilocularis	histone deacetylase 6	0.0611	0.8128	0.8128
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0505	0.0505
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0442	0.472	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0234	0.0505	0.0505
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0442	0.472	0.472
Brugia malayi	Histone deacetylase family protein	0.0611	0.8128	0.8128
Loa Loa (eye worm)	histone deacetylase 11	0.0297	0.1788	0.1788
Brugia malayi	steroid hormone receptor	0.0442	0.472	0.472
Echinococcus granulosus	histone deacetylase 6	0.0611	0.8128	0.8128
Schistosoma mansoni	histone deacetylase 4 5	0.0611	0.8128	0.8128
Schistosoma mansoni	thyroid hormone receptor	0.0442	0.472	0.472
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0442	0.472	0.472
Brugia malayi	nuclear receptor RXR	0.0234	0.0505	0.0505
Trypanosoma cruzi	histone deacetylase, putative	0.0611	0.8128	0.772
Schistosoma mansoni	histone deacetylase 4 5	0.0611	0.8128	0.8128
Echinococcus granulosus	histone deacetylase 6	0.0679	0.9517	0.9517
Trypanosoma cruzi	histone deacetylase, putative	0.0611	0.8128	0.772
Onchocerca volvulus	Protein ultraspiracle homolog	0.0442	0.472	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor-like 1	0.0234	0.0505	0.0505
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0442	0.472	0.472
Schistosoma mansoni	histone deacetylase hda2	0.0679	0.9517	0.9517
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0234	0.0505	0.0505
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0442	0.472	0.472
Brugia malayi	nuclear receptor NHR-88	0.0442	0.472	0.472
Plasmodium vivax	histone deacetylase, putative	0.0611	0.8128	0.772
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0442	0.472	0.472
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0234	0.0505	0.0505
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Loa Loa (eye worm)	steroid hormone receptor	0.0442	0.472	0.472
Trypanosoma brucei	histone deacetylase, putative	0.0611	0.8128	0.772
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0382	0.3514	0.3514
Schistosoma mansoni	coup transcription factor	0.0442	0.472	0.472
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0442	0.472	0.472
Trypanosoma cruzi	histone deacetylase, putative	0.0611	0.8128	0.772
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0442	0.472	0.472
Echinococcus multilocularis	histone deacetylase 8	0.0297	0.1788	0.1788
Brugia malayi	ecdysteroid receptor	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0442	0.472	0.472
Echinococcus granulosus	FTZ F1 alpha	0.0442	0.472	0.472
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0442	0.472	0.472
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0442	0.472	0.472
Brugia malayi	Steroid receptor seven-up type 2	0.0442	0.472	0.472
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0442	0.472	0.472
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0442	0.472	0.472
Brugia malayi	histone deacetylase 11	0.0297	0.1788	0.1788
Loa Loa (eye worm)	histone deacetylase	0.0611	0.8128	0.8128
Schistosoma mansoni	nuclear hormone receptor	0.0442	0.472	0.472
Echinococcus granulosus	histone deacetylase 8	0.0297	0.1788	0.1788
Loa Loa (eye worm)	hypothetical protein	0.0297	0.1788	0.1788
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0442	0.472	0.472
Echinococcus multilocularis	ecdysone induced protein 78C	0.0442	0.472	0.472
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0442	0.472	0.472
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0505	0.0505
Brugia malayi	hypothetical protein	0.0234	0.0505	0.0505
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0442	0.472	0.472
Echinococcus granulosus	ecdysone induced protein 78C	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0442	0.472	0.472
Echinococcus multilocularis	FTZ F1 alpha	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0505	0.0505
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0234	0.0505	0.0505
Echinococcus multilocularis	histone deacetylase 6	0.0679	0.9517	0.9517
Echinococcus granulosus	histone deacetylase	0.0611	0.8128	0.8128
Schistosoma mansoni	RAR-like nuclear receptor	0.0442	0.472	0.472
Schistosoma mansoni	thyroid hormone receptor	0.0442	0.472	0.472
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0505	0.0505
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0442	0.472	0.472
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0442	0.472	0.472
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0442	0.472	0.472
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0234	0.0505	0.0505
Loa Loa (eye worm)	hypothetical protein	0.0442	0.472	0.472
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0442	0.472	0.472
Echinococcus granulosus	histone deacetylase 6	0.0611	0.8128	0.8128
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0442	0.472	0.472
Brugia malayi	Nuclear hormone receptor-like 1	0.0234	0.0505	0.0505
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0505	0.0505
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0442	0.472	0.472
Schistosoma mansoni	histone deacetylase 1 2 3	0.0297	0.1788	0.1788
Echinococcus multilocularis	histone deacetylase 7	0.0611	0.8128	0.8128
Toxoplasma gondii	histone deacetylase HDAC1	0.0611	0.8128	0.772
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0442	0.472	0.472
Echinococcus multilocularis	histone deacetylase	0.0611	0.8128	0.8128
Loa Loa (eye worm)	hypothetical protein	0.0314	0.2125	0.2125
Schistosoma mansoni	retinoic acid receptor RXR	0.0442	0.472	0.472
Schistosoma mansoni	histone deacetylase hda2	0.0297	0.1788	0.1788
Onchocerca volvulus	Bile acid receptor homolog	0.0442	0.472	1
Echinococcus granulosus	histone deacetylase 7	0.0611	0.8128	0.8128
Trypanosoma brucei	histone deacetylase 3	0.0611	0.8128	0.772
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0442	0.472	0.472

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8.2757	Inhibition of NaV1.7 ion channel (unknown origin)	ChEMBL.	23177785

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: CHEMBL2325300

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 1727631