TDR Targets

Basic information

Technical information

TDR Targets ID: 1267470
Name: 2-(3-methoxyphenyl)-N-(4-morpholin-4-ylsulfon ylphenyl)acetamide
MW: 390.453 | Formula: C19H22N2O5S
H donors: 1 H acceptors: 3 LogP: 1.44 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
InChi: 1S/C19H22N2O5S/c1-25-17-4-2-3-15(13-17)14-19(22)20-16-5-7-18(8-6-16)27(23,24)21-9-11-26-12-10-21/h2-8,13H,9-12,14H2,1H3,(H,20,22)
InChiKey: GNQUXODQKHDVKV-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

2-(3-methoxyphenyl)-N-(4-morpholinosulfonylphenyl)acetamide
2-(3-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	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
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0053	0.0642	0.0642
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0112	0.2784	0.2784
Echinococcus multilocularis	nuclear receptor nhr 48	0.0053	0.0642	0.0642
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0112	0.2784	0.2784
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0053	0.0642	0.0642
Brugia malayi	nuclear hormone receptor	0.0112	0.2784	0.2784
Brugia malayi	nuclear receptor NHR-88	0.0053	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0059	0.0871	0.0858
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0112	0.2784	0.2784
Brugia malayi	nuclear receptor RXR	0.0059	0.0871	0.0871
Onchocerca volvulus	Protein ultraspiracle homolog	0.0112	0.2784	0.2289
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0053	0.0642	0.0642
Brugia malayi	ecdysteroid receptor	0.0112	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0112	0.2784	0.2784
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0073	0.1395	0.1395
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0112	0.2784	0.2773
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Brugia malayi	steroid hormone receptor	0.0112	0.2784	0.2784
Schistosoma mansoni	nuclear hormone receptor	0.0112	0.2784	0.2784
Loa Loa (eye worm)	cytochrome P450 family protein	0.0064	0.1052	0.1039
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0112	0.2784	0.2773
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0059	0.0871	0.0871
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0112	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Schistosoma mansoni	nuclear receptor nhr-48	0.0053	0.0642	0.0642
Schistosoma mansoni	nuclear receptor	0.0053	0.0642	0.0642
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0112	0.2784	0.2784
Trypanosoma cruzi	cytochrome P450, putative	0.0064	0.1052	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0112	0.2784	0.2784
Leishmania major	cytochrome p450-like protein	0.0064	0.1052	0.5
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0053	0.0642	0.0629
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.009	0.1993	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0112	0.2784	0.2784
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0112	0.2784	0.2773
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0059	0.0871	0.0871
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0079	0.1596	0.1596
Echinococcus multilocularis	geminin	0.0205	0.6154	0.6154
Brugia malayi	hypothetical protein	0.0053	0.0642	0.0642
Brugia malayi	angiogenesis inhibito	0.0054	0.0687	0.0687
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0053	0.0642	0.0642
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.049	0.049
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0053	0.0642	0.0642
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0112	0.2784	0.2784
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0112	0.2784	0.2784
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0112	0.2784	0.2784
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.009	0.1993	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0112	0.2784	0.2784
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0311	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0559	0.0545
Brugia malayi	hypothetical protein	0.005	0.0559	0.0559
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Brugia malayi	nuclear hormone receptor family member odr-7	0.0053	0.0642	0.0642
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.005	0.0559	0.0559
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0053	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0112	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor-like 1	0.0059	0.0871	0.0871
Schistosoma mansoni	nuclear hormone receptor	0.0053	0.0642	0.0642
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0112	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.009	0.1993	0.1982
Onchocerca volvulus	Papilin homolog	0.0056	0.0744	0.0109
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.049	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Loa Loa (eye worm)	nuclear hormone receptor	0.0053	0.0642	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0871	0.0858
Brugia malayi	Cytochrome P450 family protein	0.0064	0.1052	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0176	0.511	0.5103
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0311	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0112	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0112	0.2784	0.2784
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0112	0.2784	0.2784
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.009	0.1993	0.1993
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0112	0.2784	0.2773
Loa Loa (eye worm)	DR-78	0.0053	0.0642	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0871	0.0858
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0053	0.0642	0.0642
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.009	0.1993	0.1993
Trypanosoma cruzi	cytochrome P450, putative	0.0064	0.1052	0.5
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0079	0.1596	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0871	0.0858
Brugia malayi	hypothetical protein	0.0059	0.0871	0.0871
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0176	0.511	0.511
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0073	0.1395	0.1395
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0112	0.2784	0.2784
Brugia malayi	orphan nuclear receptor NR2E1	0.0053	0.0642	0.0642
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0112	0.2784	0.2784
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0053	0.0642	0.0629
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0073	0.1395	0.1395
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0311	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0112	0.2784	0.2773
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0311	1	1
Echinococcus multilocularis	adam	0.005	0.0559	0.0559
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0053	0.0642	0.0642
Brugia malayi	Nuclear hormone receptor-like 1	0.0059	0.0871	0.0871
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0112	0.2784	0.2784
Schistosoma mansoni	zinc finger protein	0.0053	0.0642	0.0642
Echinococcus multilocularis	ecdysone induced protein 78C	0.0112	0.2784	0.2784
Brugia malayi	nuclear receptor NHR-67	0.0053	0.0642	0.0642
Schistosoma mansoni	nuclear receptor	0.0053	0.0642	0.0642
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0053	0.0642	0.0642
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0053	0.0642	0.0642
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0112	0.2784	0.2773
Brugia malayi	nuclear receptor RXR	0.0053	0.0642	0.0642
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0112	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0112	0.2784	0.2784
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.009	0.1993	0.1993
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0112	0.2784	0.2784
Brugia malayi	hypothetical protein	0.0053	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0079	0.1596	0.1596
Schistosoma mansoni	RAR-like nuclear receptor	0.0112	0.2784	0.2784
Brugia malayi	Steroid receptor seven-up type 2	0.0112	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0112	0.2784	0.2784
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0064	0.1052	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0112	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0112	0.2784	0.2784
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0053	0.0642	0.0642
Schistosoma mansoni	hypothetical protein	0.0205	0.6154	0.6154
Brugia malayi	ecdysone receptor	0.0053	0.0642	0.0642
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0112	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0059	0.0871	0.0871
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0112	0.2784	0.2784
Echinococcus granulosus	geminin	0.0205	0.6154	0.6154
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0112	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0112	0.2784	0.2784
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0311	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0744	0.0731
Brugia malayi	ADAMTS-like protease	0.0054	0.0687	0.0687
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0112	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0112	0.2784	0.2784
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.009	0.1993	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Echinococcus granulosus	ecdysone induced protein 78C	0.0112	0.2784	0.2784
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0112	0.2784	0.2289
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0871	0.0858
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0871	0.0858
Loa Loa (eye worm)	CYP4Cod1	0.0064	0.1052	0.1039
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0112	0.2784	0.2773
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0112	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.0049	0.049	0.0476
Echinococcus granulosus	nuclear receptor nhr 48	0.0053	0.0642	0.0642
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0053	0.0642	0.0642
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0112	0.2784	0.2784
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0079	0.1596	0.1596
Brugia malayi	Nuclear hormone receptor-like 1	0.0112	0.2784	0.2784
Trypanosoma brucei	cytochrome P450, putative	0.0064	0.1052	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0112	0.2784	0.2784
Echinococcus granulosus	thyroid hormone receptor alpha	0.0053	0.0642	0.0642
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0059	0.0871	0.0871
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Schistosoma mansoni	thyroid hormone receptor	0.0112	0.2784	0.2784
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.049	0.049
Echinococcus granulosus	FTZ F1 alpha	0.0112	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor E75	0.0053	0.0642	0.0642
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0053	0.0642	0.0642
Schistosoma mansoni	hypothetical protein	0.0205	0.6154	0.6154
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0112	0.2784	0.2773
Brugia malayi	Cytochrome P450 family protein	0.0064	0.1052	0.1052
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0112	0.2784	0.2784
Echinococcus multilocularis	FTZ F1 alpha	0.0112	0.2784	0.2784
Brugia malayi	conserved hypotetical protein	0.0053	0.0642	0.0642
Loa Loa (eye worm)	cytochrome P450 family protein	0.0064	0.1052	0.1039
Echinococcus granulosus	adam	0.005	0.0559	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0642	0.0629
Schistosoma mansoni	thyroid hormone receptor	0.0112	0.2784	0.2784
Brugia malayi	nuclear receptor NHR-88	0.0112	0.2784	0.2784
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0311	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0112	0.2784	0.2289
Schistosoma mansoni	nuclear hormone receptor	0.0053	0.0642	0.0642
Brugia malayi	Nuclear hormone receptor E75	0.0053	0.0642	0.0642
Schistosoma mansoni	coup transcription factor	0.0112	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2784	0.2773
Schistosoma mansoni	serine/threonine protein kinase	0.0311	1	1
Brugia malayi	hypothetical protein	0.0059	0.0871	0.0871
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.009	0.1993	0.1993
Brugia malayi	tailless protein	0.0053	0.0642	0.0642
Onchocerca volvulus		0.0112	0.2784	0.2289
Brugia malayi	nuclear hormone receptor	0.0053	0.0642	0.0642

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2909 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
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1378840

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 1267470