TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 458.901 | Formula: C18H11ClN6O3S2
H donors: 2 H acceptors: 6 LogP: 3.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cc(ccc1Oc1ccc(cc1c1ccn[nH]1)Cl)S(=O)(=O)Nc1ncns1
InChi: 1S/C18H11ClN6O3S2/c19-12-1-3-17(14(8-12)15-5-6-22-24-15)28-16-4-2-13(7-11(16)9-20)30(26,27)25-18-21-10-23-29-18/h1-8,10H,(H,22,24)(H,21,23,25)
InChiKey: HWZRSTGNKARGTN-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 granulosus	voltage gated sodium channel Nav1 alpha subunit	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 major	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	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 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

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
Entamoeba histolytica	type A flavoprotein, putative	0.0098	0.5	0.5
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0098	0.5	0.5
Plasmodium falciparum	cytosolic glyoxalase II	0.0098	0.5	0.5
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0098	0.5	0.5
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0098	0.5	0.5
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0098	0.5	0.5
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0098	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.5	0.5
Leishmania major	hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative	0.0098	0.5	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0098	0.5	0.5
Leishmania major	cleavage and polyadenylation specificity factor, putative	0.0098	0.5	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0098	0.5	0.5
Trypanosoma brucei	glyoxalase II	0.0098	0.5	0.5
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0098	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0098	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0098	0.5	0.5
Leishmania major	metallo-beta-lactamase family-like protein	0.0098	0.5	0.5
Trypanosoma cruzi	glyoxalase II	0.0098	0.5	0.5
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0098	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0098	0.5	0.5
Onchocerca volvulus		0.0098	0.5	0.5
Leishmania major	metallo-beta-lactamase family protein-like protein	0.0098	0.5	0.5
Mycobacterium tuberculosis	Conserved protein	0.0098	0.5	0.5
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0098	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0098	0.5	0.5
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0098	0.5	0.5
Mycobacterium tuberculosis	Conserved protein	0.0098	0.5	0.5
Echinococcus multilocularis	zinc phosphodiesterase	0.0098	0.5	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0098	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0098	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0098	0.5	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0098	0.5	0.5
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0098	0.5	0.5
Onchocerca volvulus		0.0098	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0098	0.5	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0098	0.5	0.5
Treponema pallidum	ribonuclease Z	0.0098	0.5	0.5
Mycobacterium ulcerans	hydrolase	0.0098	0.5	0.5
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0098	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.5	0.5
Trypanosoma cruzi	glyoxalase II	0.0098	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0098	0.5	0.5
Echinococcus granulosus	zinc phosphodiesterase	0.0098	0.5	0.5
Echinococcus multilocularis	ETHE1 protein	0.0098	0.5	0.5
Mycobacterium ulcerans	hydrolase	0.0098	0.5	0.5
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0098	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0098	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0098	0.5	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0098	0.5	0.5
Schistosoma mansoni	zinc phosphodiesterase	0.0098	0.5	0.5
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0098	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.5	0.5
Brugia malayi	hypothetical protein	0.0098	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.5	0.5
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0098	0.5	0.5
Mycobacterium tuberculosis	Conserved protein	0.0098	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0098	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0098	0.5	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.0098	0.5	0.5
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0098	0.5	0.5
Mycobacterium leprae	Beta-lactamase-like protein	0.0098	0.5	0.5
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0098	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0098	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0098	0.5	0.5
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0098	0.5	0.5
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0098	0.5	0.5
Mycobacterium ulcerans	hydrolase	0.0098	0.5	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0098	0.5	0.5
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0098	0.5	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0098	0.5	0.5
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0098	0.5	0.5
Mycobacterium ulcerans	beta lactamase-like protein	0.0098	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0098	0.5	0.5
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0098	0.5	0.5
Mycobacterium ulcerans	glyoxalase II, GloB	0.0098	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0098	0.5	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0098	0.5	0.5
Trypanosoma cruzi	glyoxalase II	0.0098	0.5	0.5
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0098	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0098	0.5	0.5
Mycobacterium tuberculosis	Beta lactamase like protein	0.0098	0.5	0.5
Plasmodium vivax	unspecified product	0.0098	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0098	0.5	0.5
Echinococcus granulosus	ETHE1 protein	0.0098	0.5	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.5	0.5
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0098	0.5	0.5
Mycobacterium ulcerans	hypothetical protein	0.0098	0.5	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0098	0.5	0.5
Giardia lamblia	Metallo-beta-lactamase superfamily protein	0.0098	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0098	0.5	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0098	0.5	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0098	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0098	0.5	0.5
Onchocerca volvulus	Putative hydrolase PNKD	0.0098	0.5	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0098	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.5	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0098	0.5	0.5
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0098	0.5	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0098	0.5	0.5
Trichomonas vaginalis	A-type flavoprotein	0.0098	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.5	0.5
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0098	0.5	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0098	0.5	0.5
Schistosoma mansoni	zinc phosphodiesterase	0.0098	0.5	0.5
Chlamydia trachomatis	ribonuclease Z	0.0098	0.5	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.5229	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: CHEMBL2324742

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 1729315