TDR Targets

Basic information

Technical information

TDR Targets ID: 1120864
Name: N-[3-[(4-methoxyphenyl)amino]-3-oxopropyl]-1- (4-methoxyphenyl)sulfonylpiperidine-4-carboxa mide
MW: 475.558 | Formula: C23H29N3O6S
H donors: 2 H acceptors: 4 LogP: 1.59 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NC(=O)CCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC
InChi: 1S/C23H29N3O6S/c1-31-19-5-3-18(4-6-19)25-22(27)11-14-24-23(28)17-12-15-26(16-13-17)33(29,30)21-9-7-20(32-2)8-10-21/h3-10,17H,11-16H2,1-2H3,(H,24,28)(H,25,27)
InChiKey: KEPXQOVUCJZFSQ-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

N-[3-[(4-methoxyphenyl)amino]-3-oxo-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide
N-[3-[(4-methoxyphenyl)amino]-3-oxopropyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide
N-[3-keto-3-[(4-methoxyphenyl)amino]propyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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 hormone receptor family member nhr 41	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0156	0.225	0.3286
Brugia malayi	Nuclear hormone receptor-like 1	0.0175	0.2743	0.4005
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0331	0.6848	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0331	0.6848	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0175	0.2743	0.4005
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0175	0.2743	0.4005
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0156	0.225	0.3286
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0175	0.2743	0.4005
Echinococcus multilocularis	FTZ F1 alpha	0.0331	0.6848	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Schistosoma mansoni	nuclear hormone receptor	0.0156	0.225	0.3286
Echinococcus granulosus	FTZ F1 alpha	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Brugia malayi	hypothetical protein	0.0156	0.225	0.3286
Brugia malayi	TAR-binding protein	0.0076	0.0157	0.0229
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0331	0.6848	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0156	0.225	0.3286
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.0724	0.1057
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.0724	0.1057
Loa Loa (eye worm)	transcription factor SMAD2	0.0237	0.4375	0.6389
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0331	0.6848	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0331	0.6848	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0157	0.0229
Onchocerca volvulus		0.0331	0.6848	1
Schistosoma mansoni	nuclear receptor	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0156	0.225	0.3286
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0331	0.6848	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0156	0.225	0.3286
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0156	0.225	0.3286
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0331	0.6848	1
Schistosoma mansoni	coup transcription factor	0.0331	0.6848	1
Brugia malayi	ecdysone receptor	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Mycobacterium ulcerans	hypothetical protein	0.0071	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0331	0.6848	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0156	0.225	0.3286
Brugia malayi	Nuclear hormone receptor E75	0.0156	0.225	0.3286
Echinococcus granulosus	thyroid hormone receptor alpha	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1
Brugia malayi	nuclear receptor RXR	0.0175	0.2743	0.4005
Brugia malayi	nuclear receptor NHR-67	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2743	0.4005
Brugia malayi	RNA binding protein	0.0076	0.0157	0.0229
Mycobacterium ulcerans	esterase/lipase LipP	0.0071	0	0.5
Leishmania major	hypothetical protein, conserved	0.0071	0	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0331	0.6848	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0331	0.6848	1
Loa Loa (eye worm)	DR-78	0.0156	0.225	0.3286
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0175	0.2743	0.4005
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0331	0.6848	1
Brugia malayi	nuclear receptor NHR-88	0.0156	0.225	0.3286
Brugia malayi	Nuclear hormone receptor-like 1	0.0175	0.2743	0.4005
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Brugia malayi	nuclear hormone receptor	0.0156	0.225	0.3286
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0157	0.0229
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2743	0.4005
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0331	0.6848	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1
Brugia malayi	hypothetical protein	0.0175	0.2743	0.4005
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0156	0.225	0.3286
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0157	0.0229
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0331	0.6848	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0156	0.225	0.3286
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2743	0.4005
Brugia malayi	steroid hormone receptor	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0724	0.1057
Toxoplasma gondii	ABC1 family protein	0.0071	0	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0156	0.225	0.3286
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0331	0.6848	1
Brugia malayi	nuclear receptor RXR	0.0156	0.225	0.3286
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0331	0.6848	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0331	0.6848	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0157	0.0229
Echinococcus multilocularis	nuclear receptor nhr 48	0.0156	0.225	0.3286
Schistosoma mansoni	retinoic acid receptor RXR	0.0331	0.6848	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0331	0.6848	1
Mycobacterium leprae	Probable lipase LipE	0.0071	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0331	0.6848	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0156	0.225	0.3286
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0156	0.225	0.3286
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0331	0.6848	1
Trichomonas vaginalis	esterase, putative	0.0071	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0331	0.6848	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0331	0.6848	1
Onchocerca volvulus		0.0156	0.225	0.3286
Brugia malayi	nuclear hormone receptor family member odr-7	0.0156	0.225	0.3286
Loa Loa (eye worm)	nuclear hormone receptor	0.0156	0.225	0.3286
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0331	0.6848	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0	0.5
Schistosoma mansoni	zinc finger protein	0.0156	0.225	0.3286
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0331	0.6848	1
Onchocerca volvulus		0.0156	0.225	0.3286
Brugia malayi	nuclear receptor NHR-88	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0331	0.6848	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0156	0.225	0.3286
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0331	0.6848	1
Schistosoma mansoni	nuclear hormone receptor	0.0156	0.225	0.3286
Brugia malayi	nuclear hormone receptor	0.0331	0.6848	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0156	0.225	0.3286
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0331	0.6848	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0331	0.6848	1
Plasmodium vivax	hypothetical protein, conserved	0.0071	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0331	0.6848	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0331	0.6848	1
Schistosoma mansoni	thyroid hormone receptor	0.0331	0.6848	1
Brugia malayi	Steroid receptor seven-up type 2	0.0331	0.6848	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0157	0.0229
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0157	0.0229
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0331	0.6848	1
Brugia malayi	MH2 domain containing protein	0.0237	0.4375	0.6389
Schistosoma mansoni	thyroid hormone receptor	0.0331	0.6848	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0157	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2743	0.4005
Loa Loa (eye worm)	MH2 domain-containing protein	0.0237	0.4375	0.6389
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0156	0.225	0.3286
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0175	0.2743	0.4005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0156	0.225	0.3286
Brugia malayi	conserved hypotetical protein	0.0156	0.225	0.3286
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0331	0.6848	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0331	0.6848	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0071	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0331	0.6848	1
Mycobacterium ulcerans	beta-lactamase	0.0071	0	0.5
Mycobacterium ulcerans	lipase LipD	0.0071	0	0.5
Schistosoma mansoni	nuclear receptor	0.0156	0.225	0.3286
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0157	0.0229
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2743	0.4005
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0331	0.6848	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0156	0.225	0.3286
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0331	0.6848	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0157	0.0229
Brugia malayi	hypothetical protein	0.0156	0.225	0.3286
Brugia malayi	ecdysteroid receptor	0.0331	0.6848	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0331	0.6848	1
Brugia malayi	tailless protein	0.0156	0.225	0.3286
Brugia malayi	photoreceptor-specific nuclear receptor	0.0331	0.6848	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0157	0.0229
Echinococcus granulosus	nuclear receptor nhr 48	0.0156	0.225	0.3286
Brugia malayi	hypothetical protein	0.0175	0.2743	0.4005
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0331	0.6848	1
Onchocerca volvulus	Bile acid receptor homolog	0.0331	0.6848	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0331	0.6848	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0157	0.0229
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.0724	0.1057
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1
Mycobacterium leprae	conserved hypothetical protein	0.0071	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0331	0.6848	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0331	0.6848	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0156	0.225	0.3286
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0331	0.6848	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0331	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6848	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.0119 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (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: CHEMBL1869324

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 1120864