TDR Targets

Basic information

Technical information

TDR Targets ID: 1237454
Name: 3-(2-methoxyphenoxy)-N-(3-piperidin-1-ylsulfo nylphenyl)propanamide
MW: 418.507 | Formula: C21H26N2O5S
H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1OCCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
InChi: 1S/C21H26N2O5S/c1-27-19-10-3-4-11-20(19)28-15-12-21(24)22-17-8-7-9-18(16-17)29(25,26)23-13-5-2-6-14-23/h3-4,7-11,16H,2,5-6,12-15H2,1H3,(H,22,24)
InChiKey: DBCNPOWGWYDZJI-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

3-(2-methoxyphenoxy)-N-[3-(1-piperidylsulfonyl)phenyl]propanamide
3-(2-methoxyphenoxy)-N-(3-piperidinosulfonylphenyl)propionamide
ZINC06584534
T0520-6224
MLS000417289
SMR000242507

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0751	0.0428
Echinococcus granulosus	lamin dm0	0.0033	0.0326	0.0326
Schistosoma mansoni	microtubule-associated protein tau	0.0708	1	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0084	0.0084
Echinococcus multilocularis	musashi	0.0033	0.0326	0.0326
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0108	0.1401	0.1062
Toxoplasma gondii	ABC1 family protein	0.0108	0.1401	0.1253
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.017	0.2298	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.1401	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0317	0.1381
Onchocerca volvulus		0.0108	0.1401	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0108	0.1401	0.1062
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0326	0.1418
Mycobacterium ulcerans	beta-lactamase	0.0108	0.1401	0.1253
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0108	0.1401	0.1062
Echinococcus multilocularis	lamin dm0	0.0033	0.0326	0.0326
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0414	0.1802
Onchocerca volvulus		0.0033	0.0326	0.2327
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0751	0.0751
Mycobacterium leprae	conserved hypothetical protein	0.0108	0.1401	0.0924
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0112	0.1458	0.1458
Onchocerca volvulus		0.0108	0.1401	1
Brugia malayi	intermediate filament protein	0.0033	0.0326	0.1418
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0109	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0367
Onchocerca volvulus		0.0033	0.0326	0.2327
Leishmania major	hypothetical protein, conserved	0.0108	0.1401	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.2298	1
Schistosoma mansoni	ap endonuclease	0.0039	0.0414	0.0414
Mycobacterium leprae	Probable lipase LipE	0.0108	0.1401	0.0924
Echinococcus granulosus	beta LACTamase domain containing family member	0.0108	0.1401	0.1401
Mycobacterium tuberculosis	Probable hydrolase	0.0108	0.1401	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.033
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0112	0.1458	0.1123
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0059	0.0699	0.1514
Echinococcus granulosus	intermediate filament protein	0.0033	0.0326	0.0326
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.017	0.2298	0.2392
Echinococcus multilocularis	lamin	0.0033	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1401	0.6095
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0326	0.1418
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.1401	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0751	0.0363
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.017	0.2298	0.2106
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.0588	0.8289	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0108	0.1401	0.1253
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0108	0.1401	0.6095
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0108	0.1401	0.6095
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.1401	0.1401
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0751	0.0751
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0414	0.1802
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0108	0.1401	0.1401
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0751	0.342
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1401	0.6095
Brugia malayi	beta-lactamase family protein	0.0108	0.1401	0.6095
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0112	0.1458	0.1123
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0414	0.0414
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0414	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0326	0.1418
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0414	0.0414
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.1401	0.5237
Trypanosoma brucei	hypothetical protein, conserved	0.0108	0.1401	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0108	0.1401	0.1253
Brugia malayi	beta-lactamase family protein	0.0108	0.1401	0.6095
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.1401	0.1401
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.1401	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0687	0.9707	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.017	0.2298	0.2392
Mycobacterium tuberculosis	Probable esterase LipL	0.0108	0.1401	0.1062
Mycobacterium ulcerans	hypothetical protein	0.0108	0.1401	0.1253
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0326	0.0326
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.017	0.2298	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0751	0.0428
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0109	0.0475
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.017	0.2298	0.2392
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.017	0.2298	0.2298
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0751	0.0428
Onchocerca volvulus		0.0108	0.1401	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0751	0.0428
Brugia malayi	beta-lactamase	0.0108	0.1401	0.6095
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.1401	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0084	0.0084
Loa Loa (eye worm)	beta-lactamase	0.0108	0.1401	0.6095
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0112	0.1458	0.0999
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0326	0.1418
Schistosoma mansoni	lamin	0.0033	0.0326	0.0326
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.017	0.2298	0.5
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0588	0.8289	0.8475
Mycobacterium ulcerans	lipase LipD	0.0108	0.1401	0.1253
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.1401	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1401	0.6095
Schistosoma mansoni	peptidase Clp (S14 family)	0.017	0.2298	0.2298
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.033
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1925	0.8379
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1925	0.8379
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0751	0.0751
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.017	0.2298	0.2392
Mycobacterium tuberculosis	Probable lipase LipD	0.0108	0.1401	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1401	0.6095
Toxoplasma gondii	hypothetical protein	0.0059	0.0699	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1401	0.6095
Schistosoma mansoni	ap endonuclease	0.0039	0.0414	0.0414
Mycobacterium tuberculosis	Conserved protein	0.0108	0.1401	0.1062
Echinococcus granulosus	lamin	0.0033	0.0326	0.0326
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0059	0.0699	0.1514
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0414	0.5
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.017	0.2298	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.017	0.2298	0.2298
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.1401	1
Echinococcus multilocularis	microtubule associated protein 2	0.0708	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.1401	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1401	0.6095
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0751	0.0751
Toxoplasma gondii	pantoate-beta-alanine ligase	0.0588	0.8289	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0059	0.0699	0.1514
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0108	0.1401	0.1062
Trichomonas vaginalis	esterase, putative	0.0108	0.1401	1
Brugia malayi	MH2 domain containing protein	0.0144	0.1925	0.8379
Mycobacterium tuberculosis	Conserved protein	0.0108	0.1401	0.1062
Brugia malayi	Probable ClpP-like protease	0.017	0.2298	1
Echinococcus granulosus	peptidase Clp S14 family	0.0112	0.1458	0.1458
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.017	0.2298	1
Schistosoma mansoni	lamin	0.0033	0.0326	0.0326
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.017	0.2298	1
Mycobacterium leprae	Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0588	0.8289	1
Mycobacterium tuberculosis	Conserved protein	0.0108	0.1401	0.1062

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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: CHEMBL1310793

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 1237454