TDR Targets

Basic information

Technical information

TDR Targets ID: 799714
Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(pheny lmethyl)piperidine
MW: 371.536 | Formula: C22H29NO2S
H donors: 0 H acceptors: 2 LogP: 5.36 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1)C
InChi: 1S/C22H29NO2S/c1-18(2)16-20-8-10-22(11-9-20)26(24,25)23-14-12-21(13-15-23)17-19-6-4-3-5-7-19/h3-11,18,21H,12-17H2,1-2H3
InChiKey: HTRXDEITIRWRPC-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-isobutylphenyl)sulfonyl-4-(phenylmethyl)piperidine
4-(benzyl)-1-(4-isobutylphenyl)sulfonyl-piperidine
EU-0054579

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	nuclear receptor 2DBD gamma	0.0024	0.0192	0.1152
Echinococcus granulosus	FTZ F1 alpha	0.0024	0.0192	0.102
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0592	1	1
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0592	1	1
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.004	0.0477	0.2539
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0024	0.0192	0.4019
Trypanosoma brucei	oxidoreductase-like protein	0.004	0.0477	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0024	0.0192	0.102
Echinococcus granulosus	ecdysone induced protein 78C	0.0024	0.0192	0.102
Brugia malayi	Nuclear hormone receptor-like 1	0.0024	0.0192	0.4019
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0824	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0024	0.0192	0.4019
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0024	0.0192	0.1152
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0024	0.0192	0.102
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0024	0.0192	0.102
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0024	0.0192	0.4019
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0192	0.102
Loa Loa (eye worm)	retinol dehydrogenase 12	0.004	0.0477	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0824	0.4388
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0024	0.0192	0.4019
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0024	0.0192	0.1152
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0024	0.0192	0.102
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.004	0.0477	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.004	0.0477	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0824	0.0365
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0109	0.1664	1
Schistosoma mansoni	dihydropteridine reductase	0.004	0.0477	0.2539
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0592	1	1
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.004	0.0477	0.2539
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0024	0.0192	0.4019
Echinococcus multilocularis	ecdysone induced protein 78C	0.0024	0.0192	0.1152
Loa Loa (eye worm)	steroid hormone receptor	0.0024	0.0192	0.4019
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0192	0.4019
Brugia malayi	nuclear hormone receptor	0.0024	0.0192	0.4019
Schistosoma mansoni	retinoic acid receptor RXR	0.0121	0.1879	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0024	0.0192	0.4019
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0824	0.0365
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0192	0.4019
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0192	0.102
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0192	0.4019
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0024	0.0192	0.4019
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0824	0.0365
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.004	0.0477	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0024	0.0192	0.1152
Brugia malayi	nuclear receptor NHR-88	0.0024	0.0192	0.4019
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.004	0.0477	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0192	0.4019
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0192	0.4019
Schistosoma mansoni	coup transcription factor	0.0024	0.0192	0.102
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0824	0.4388
Schistosoma mansoni	thyroid hormone receptor	0.0024	0.0192	0.102
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0192	0.102
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0592	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0024	0.0192	0.102
Trypanosoma brucei	pteridine reductase 1	0.004	0.0477	0.5
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0824	0.0365
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0024	0.0192	0.1152
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0024	0.0192	0.4019
Brugia malayi	Steroid receptor seven-up type 2	0.0024	0.0192	0.4019
Brugia malayi	steroid hormone receptor	0.0024	0.0192	0.4019
Loa Loa (eye worm)	hypothetical protein	0.004	0.0477	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0824	0.4954
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0024	0.0192	0.102
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0121	0.1879	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0024	0.0192	0.4019
Loa Loa (eye worm)	oxidoreductase	0.004	0.0477	1
Echinococcus multilocularis	FTZ F1 alpha	0.0024	0.0192	0.1152
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0024	0.0192	0.4019
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0024	0.0192	0.1152
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0024	0.0192	0.102
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0024	0.0192	0.102
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0592	1	1
Onchocerca volvulus		0.004	0.0477	1
Brugia malayi	ecdysteroid receptor	0.0024	0.0192	0.4019
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0192	0.4019
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0824	0.4388
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0592	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0024	0.0192	0.102
Onchocerca volvulus		0.004	0.0477	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.004	0.0477	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0592	1	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.004	0.0477	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0192	0.1152
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0024	0.0192	0.102
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0024	0.0192	0.4019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0024	0.0192	0.4019
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.004	0.0477	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0024	0.0192	0.102
Schistosoma mansoni	thyroid hormone receptor	0.0024	0.0192	0.102
Brugia malayi	photoreceptor-specific nuclear receptor	0.0024	0.0192	0.4019
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0824	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0024	0.0192	0.102
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0192	0.4019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0024	0.0192	0.4019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0024	0.0192	0.4019
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.004	0.0477	0.2867
Trichomonas vaginalis	hypothetical protein	0.0592	1	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.004	0.0477	0.5

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 799714