TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 470.912 | Formula: C19H11ClN6O3S2
H donors: 1 H acceptors: 7 LogP: 3.04 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cc(ccc1Oc1ccc(cc1c1ccnnc1)Cl)S(=O)(=O)Nc1ncns1
InChi: 1S/C19H11ClN6O3S2/c20-14-1-3-18(16(8-14)12-5-6-23-24-10-12)29-17-4-2-15(7-13(17)9-21)31(27,28)26-19-22-11-25-30-19/h1-8,10-11H,(H,22,25,26)
InChiKey: KPKUFQPBLZBJTB-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
Leishmania major	calcium channel protein, putative,ion transporter, 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
Leishmania donovani	calcium channel protein, 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
Leishmania infantum	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus multilocularis	sodium channel protein	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
Echinococcus granulosus	sodium channel protein	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
Echinococcus multilocularis	multidrug resistance protein 1	0.0033	0.4521	0.4521
Loa Loa (eye worm)	multidrug resistance protein 3	0.0033	0.4521	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0033	0.4521	0.4521
Entamoeba histolytica	P-glyco protein 6, putative	0.0033	0.4521	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0033	0.4521	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0033	0.4521	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0033	0.4521	0.4521
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Echinococcus granulosus	multidrug resistance protein 1	0.0033	0.4521	0.4521
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0033	0.4521	0.4521
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Onchocerca volvulus		0.0033	0.4521	0.5
Schistosoma mansoni	multidrug resistance protein	0.0033	0.4521	0.5
Entamoeba histolytica	P-glycoprotein-2	0.0033	0.4521	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0033	0.4521	0.4521
Entamoeba histolytica	P-glycoprotein-5	0.0033	0.4521	0.5
Schistosoma mansoni	multidrug resistance protein	0.0033	0.4521	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0033	0.4521	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0033	0.4521	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Schistosoma mansoni	smdr2	0.0033	0.4521	0.5
Brugia malayi	multidrug resistance protein 3	0.0033	0.4521	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.4521	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0033	0.4521	1
Trichomonas vaginalis	abcb9, putative	0.0033	0.4521	1
Entamoeba histolytica	P-glycoprotein-1	0.0033	0.4521	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0033	0.4521	0.4521
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0033	0.4521	0.4521
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0033	0.4521	1
Trichomonas vaginalis	ABC transporter, putative	0.0033	0.4521	1
Trichomonas vaginalis	ABC transporter, putative	0.0033	0.4521	1
Trichomonas vaginalis	abcb9, putative	0.0033	0.4521	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0033	0.4521	1
Schistosoma mansoni	multidrug resistance protein	0.0033	0.4521	0.5
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0033	0.4521	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0033	0.4521	0.5
Trichomonas vaginalis	taga, putative	0.0033	0.4521	1
Echinococcus granulosus	multidrug resistance protein 1	0.0033	0.4521	0.4521
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0033	0.4521	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Trichomonas vaginalis	ABC transporter, putative	0.0033	0.4521	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0033	0.4357	0.4357
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0033	0.4521	0.4521
Entamoeba histolytica	P-glycoprotein-2, putative	0.0033	0.4521	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0033	0.4521	1
Trichomonas vaginalis	ABC transporter, putative	0.0033	0.4521	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0033	0.4521	0.5
Plasmodium falciparum	multidrug resistance protein 1	0.0033	0.4521	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Echinococcus granulosus	multidrug resistance protein 1	0.0033	0.4521	0.4521
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.4521	1
Trichomonas vaginalis	abcb9, putative	0.0033	0.4521	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0033	0.4357	0.4357
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0033	0.4521	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0033	0.4521	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0033	0.4521	0.4521
Echinococcus multilocularis	multidrug resistance protein 1	0.0033	0.4521	0.4521
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0033	0.4521	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0033	0.4521	0.4521
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0033	0.4521	1
Brugia malayi	ABC transporter family protein	0.0033	0.4521	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0033	0.4521	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0033	0.4521	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0033	0.4521	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0033	0.4521	0.5
Entamoeba histolytica	P-glycoprotein-2	0.0033	0.4521	0.5
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0033	0.4521	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0033	0.4521	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.8239	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: CHEMBL2324996

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 1725665