TDR Targets

Basic information

Technical information

TDR Targets ID: 830025
Name: 1-(4-fluorophenyl)sulfonyl-4-[4-(tetrazol-1-y l)phenoxy]piperidine
MW: 403.431 | Formula: C18H18FN5O3S
H donors: 0 H acceptors: 5 LogP: 2.69 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)n1cnnn1
InChi: 1S/C18H18FN5O3S/c19-14-1-7-18(8-2-14)28(25,26)23-11-9-17(10-12-23)27-16-5-3-15(4-6-16)24-13-20-21-22-24/h1-8,13,17H,9-12H2
InChiKey: BMOXDXBYOSUMGN-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

1-(4-fluorophenyl)sulfonyl-4-[4-(1-tetrazolyl)phenoxy]piperidine
1-(4-fluorophenyl)sulfonyl-4-[4-(1,2,3,4-tetrazol-1-yl)phenoxy]piperidine
D216-0707
NCGC00116830-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0316	0.0978
Brugia malayi	Cation transporter family protein	0.0018	0.0341	1
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0.0013	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0018	0.0341	0.0341
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0316	0.9276
Echinococcus multilocularis	expressed protein	0.001	0.0013	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Echinococcus granulosus	glycine receptor subunit beta	0.0018	0.0341	0.0341
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0011	0.0047	0.1478
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0018	0.0341	0.0341
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0018	0.0341	0.0341
Onchocerca volvulus		0.0018	0.0341	0.5
Brugia malayi	Cation transporter family protein	0.0018	0.0341	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0018	0.0341	0.0341
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0018	0.0341	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Onchocerca volvulus		0.0018	0.0341	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Schistosoma mansoni	nAChR subunit	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Echinococcus granulosus	expressed protein	0.001	0.0013	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0018	0.0341	0.0341
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0018	0.0341	0.0341
Mycobacterium ulcerans	bacterioferritin BfrB	0.001	0.0013	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0018	0.0341	0.0341
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.001	0.0013	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Onchocerca volvulus	Putative nachr subunit	0.0018	0.0341	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0316	0.9276
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0011	0.0047	0.1478
Schistosoma mansoni	ferritin	0.001	0.0013	0.0389
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0341	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0018	0.0341	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0088	0.3232	1
Echinococcus granulosus	glycine receptor subunit beta	0.0018	0.0341	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Onchocerca volvulus		0.0018	0.0341	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0018	0.0341	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0018	0.0341	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0018	0.0341	0.0341
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0018	0.0341	0.0341
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Onchocerca volvulus		0.0018	0.0341	0.5
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0252	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0341	1
Treponema pallidum	bacterioferrin (TpF1)	0.001	0.0013	0.5
Schistosoma mansoni	nAChR subunit	0.0018	0.0341	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0316	0.9276
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0018	0.0341	0.0341
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0341	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0316	0.0316
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0341	1
Echinococcus multilocularis	nAChR subunit	0.0018	0.0341	0.0341
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0316	0.9276
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0018	0.0341	0.0341
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Schistosoma mansoni	apoferritin-2	0.001	0.0013	0.0389
Schistosoma mansoni	nAChR subunit	0.0018	0.0341	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0316	0.0978
Giardia lamblia	GTOR	0.0018	0.0316	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0018	0.0341	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0316	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0341	1
Schistosoma mansoni	nAChR subunit	0.0018	0.0341	1
Loa Loa (eye worm)	LGC-31 protein	0.0018	0.0341	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0018	0.0341	1
Loa Loa (eye worm)	ACC-1 protein	0.0018	0.0341	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0018	0.0341	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0018	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0047	0.1478
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0018	0.0341	1
Loa Loa (eye worm)	ACC-1 protein	0.0018	0.0341	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0316	0.9276
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0316	0.0978
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0018	0.0341	0.0341
Mycobacterium ulcerans	bacterioferritin BfrA	0.001	0.0013	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Echinococcus multilocularis	ferritin	0.001	0.0013	0.0013
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0018	0.0341	1
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0047	0.1478
Schistosoma mansoni	nAChR subunit	0.0018	0.0341	1
Schistosoma mansoni	ferritin	0.001	0.0013	0.0389
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Schistosoma mansoni	nAChR subunit	0.0018	0.0341	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0018	0.0341	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0316	0.9276
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0018	0.0316	1
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0018	0.0341	1
Trichomonas vaginalis	ferritin, putative	0.001	0.0013	0.042
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0018	0.0341	0.0341
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0018	0.0341	0.0341
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Schistosoma mansoni	ferritin	0.001	0.0013	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0047	0.1371
Schistosoma mansoni	nAChR subunit	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0.0013	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0018	0.0341	0.0341
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0316	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0316	1
Schistosoma mansoni	ferritin light chain	0.001	0.0013	0.0389
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0316	1
Leishmania major	hypothetical protein, conserved	0.0092	0.3371	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0018	0.0341	0.0341
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0018	0.0341	0.0341
Echinococcus granulosus	ferritin	0.001	0.0013	0.0013
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0316	0.0316
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0018	0.0341	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0018	0.0341	0.0341
Schistosoma mansoni	ferritin light chain	0.001	0.0013	0.0389
Brugia malayi	excitatory GABA receptor EXP-1A	0.0018	0.0341	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0316	0.0316
Schistosoma mansoni	ferritin	0.001	0.0013	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0018	0.0341	0.0341
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0018	0.0341	0.0341
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.001	0.0013	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0018	0.0341	1
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0018	0.0341	1
Echinococcus granulosus	nAChR subunit	0.0018	0.0341	0.0341
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0018	0.0341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Brugia malayi	Cation transporter family protein	0.0018	0.0341	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0341	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0316	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0018	0.0341	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0316	0.0978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0018	0.0341	0.0341
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0316	1
Schistosoma mansoni	apoferritin-2	0.001	0.0013	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0341	1
Onchocerca volvulus		0.0018	0.0341	0.5
Onchocerca volvulus		0.0018	0.0341	0.5
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0018	0.0341	0.0341

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1437384
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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 830025