TDR Targets

Basic information

Technical information

TDR Targets ID: 1455530
Name: 1-(4-methylphenyl)sulfonyl-4-[1-(phenylmethyl )piperidin-4-yl]piperazine
MW: 413.576 | Formula: C23H31N3O2S
H donors: 0 H acceptors: 2 LogP: 3.33 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCN(CC1)Cc1ccccc1
InChi: 1S/C23H31N3O2S/c1-20-7-9-23(10-8-20)29(27,28)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-21-5-3-2-4-6-21/h2-10,22H,11-19H2,1H3
InChiKey: BVAXYFGFDJWMEF-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-(4-methylphenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidyl]piperazine
1-(4-methylphenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidinyl]piperazine
1-[1-(benzyl)-4-piperidyl]-4-(4-methylphenyl)sulfonyl-piperazine
BAS 02500689
Oprea1_532098
Oprea1_766649
STK130327

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
Loa Loa (eye worm)	hypothetical protein	0.0101	0.3782	0.3782
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0048	0.0048
Schistosoma mansoni	hypothetical protein	0.0047	0.1385	0.3663
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.1385	0.1385
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0048	0.0187
Schistosoma mansoni	smad	0.0016	0.0048	0.0126
Leishmania major	hypothetical protein, conserved	0.0025	0.0416	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0048	0.0126
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0416	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0101	0.3782	0.3782
Echinococcus granulosus	tar DNA binding protein	0.0073	0.2546	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0416	1
Schistosoma mansoni	Smad4	0.0016	0.0048	0.0126
Brugia malayi	MH2 domain containing protein	0.0016	0.0048	0.0048
Brugia malayi	hypothetical protein	0.0148	0.5875	0.5875
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2546	0.6733
Brugia malayi	MH1 domain containing protein	0.0016	0.0048	0.0048
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0147	0.5847	0.5847
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0048	0.0048
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.1385	0.1385
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.2546	0.2546
Schistosoma mansoni	hypothetical protein	0.0047	0.1385	0.3663
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0	0.5
Brugia malayi	Smad1	0.0016	0.0048	0.0048
Brugia malayi	hypothetical protein	0.0016	0.0027	0.0027
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.1385	0.544
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2546	0.6733
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.1385	0.544
Loa Loa (eye worm)	hypothetical protein	0.0148	0.5875	0.5875
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0416	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0416	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0048	0.0126
Echinococcus granulosus	GPCR family 2	0.0047	0.1385	0.544
Brugia malayi	MH1 domain containing protein	0.0016	0.0048	0.0048
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2546	0.6733
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.2546	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0048	0.0187
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0048	0.0126
Brugia malayi	hypothetical protein	0.0025	0.0416	0.0416
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0416	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.1385	0.1385
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2546	0.6733
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0147	0.5847	0.5847
Echinococcus granulosus	Smad4	0.0016	0.0048	0.0187
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0416	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.1385	0.544
Brugia malayi	MH2 domain containing protein	0.0016	0.0048	0.0048
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.2546	0.2546
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0147	0.5847	0.5847
Loa Loa (eye worm)	MH2 domain-containing protein	0.0241	1	1
Echinococcus multilocularis	smad	0.0016	0.0048	0.0187
Onchocerca volvulus		0.0148	0.5875	0.5
Schistosoma mansoni	hypothetical protein	0.0047	0.1385	0.3663
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0048	0.0187
Loa Loa (eye worm)	Smad1	0.0016	0.0048	0.0048
Loa Loa (eye worm)	transcription factor SMAD2	0.0241	1	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1385	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0147	0.5847	0.5847
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0048	0.0126
Loa Loa (eye worm)	RNA binding protein	0.0073	0.2546	0.2546
Brugia malayi	RNA binding protein	0.0073	0.2546	0.2546
Echinococcus multilocularis	GPCR, family 2	0.0047	0.1385	0.544
Echinococcus granulosus	smad	0.0016	0.0048	0.0187
Brugia malayi	TAR-binding protein	0.0073	0.2546	0.2546
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0048	0.0187
Echinococcus multilocularis	Smad4	0.0016	0.0048	0.0187
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0416	1
Schistosoma mansoni	hypothetical protein	0.0101	0.3782	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.1385	0.544
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.2546	0.2546
Schistosoma mansoni	hypothetical protein	0.0047	0.1385	0.3663
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.2546	0.6733

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

ChEMBL: CHEMBL1623292

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 1455530