TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.873 | Formula: C17H10ClF2N5O3S2
H donors: 2 H acceptors: 5 LogP: 3.92 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccn[nH]1
InChi: 1S/C17H10ClF2N5O3S2/c18-11-6-16(30(26,27)25-17-21-8-23-29-17)12(20)7-15(11)28-14-5-9(19)1-2-10(14)13-3-4-22-24-13/h1-8H,(H,22,24)(H,21,23,25)
InChiKey: FNZXYVYYPGDDHR-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 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
Leishmania donovani	calcium channel protein, 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
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 mexicana	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
Echinococcus granulosus	hyperpolarization activated cyclic	0.0064	0.043	0.0223
Echinococcus granulosus	voltage gated potassium channel	0.0093	0.1414	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0272	0.7603	0.839
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0066	0.0479	0.0278
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	biogenic amine receptor	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	neuropeptide receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	biogenic amine receptor	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0064	0.043	0.043
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	growth hormone secretagogue receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	opsin-like receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0059	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0064	0.043	0.0223
Echinococcus granulosus	sodium channel protein	0.0066	0.0479	0.0278
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0059	0.0234	0.0234
Schistosoma mansoni	neuropeptide f receptor 76f	0.0059	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0059	0.0234	0.0234
Schistosoma mansoni	amine GPCR	0.0059	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1414	0.1343
Schistosoma mansoni	myosin xvIII	0.0059	0.0234	0.0234
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0064	0.043	0.0223
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0093	0.1414	0.1343
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0064	0.043	0.0223
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Schistosoma mansoni	opsin-like receptor	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	biogenic amine receptor	0.0059	0.0234	0.0234
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0059	0.0234	0.5
Schistosoma mansoni	adenoreceptor	0.0059	0.0234	0.0234
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0064	0.043	0.0223
Echinococcus multilocularis	voltage gated potassium channel	0.0093	0.1414	0.1343
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0313	0.9017	1
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0064	0.043	0.0223
Schistosoma mansoni	histamine h1 receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	neuropeptide receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	voltage-gated potassium channel	0.0093	0.1414	0.1414
Schistosoma mansoni	opsin-like receptor	0.0059	0.0234	0.0234
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0313	0.9017	1
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0064	0.043	0.0223
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0066	0.0479	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0064	0.043	0.043
Schistosoma mansoni	neuropeptide receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0059	0.0234	0.0234
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	voltage-gated potassium channel	0.0093	0.1414	0.1414
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0059	0.0234	0.0234
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0064	0.043	0.0223
Echinococcus granulosus	hyperpolarization activated cyclic	0.0064	0.043	0.0223
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0064	0.043	0.0223
Schistosoma mansoni	amine GPCR	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Echinococcus multilocularis	sodium channel protein	0.0066	0.0479	0.0278
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.029	0.8211	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0064	0.043	0.043
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0064	0.043	0.0223
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	amine GPCR	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0064	0.043	0.043
Schistosoma mansoni	hypothetical protein	0.0059	0.0234	0.0234
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	neuropeptide F-like receptor	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.5922	0.5
Schistosoma mansoni	amine GPCR	0.0059	0.0234	0.0234
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0064	0.043	0.0223
Schistosoma mansoni	voltage-gated potassium channel	0.0064	0.043	0.043
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0093	0.1414	0.1343
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0059	0.0234	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	amine GPCR	0.0059	0.0234	0.0234
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0313	0.9017	1
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0064	0.043	0.0223
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0064	0.043	0.043
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0064	0.043	0.0223
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0313	0.9017	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0059	0.0234	0.0234
Onchocerca volvulus		0.0059	0.0234	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.029	0.8211	1
Onchocerca volvulus		0.0059	0.0234	0.5
Schistosoma mansoni	neuropeptide receptor	0.0059	0.0234	0.0234
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0064	0.043	0.0223
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0059	0.0234	0.0234
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0093	0.1414	0.1343

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8.1612	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: CHEMBL2325312

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 1729295