TDR Targets

Basic information

Technical information

TDR Targets ID: 617530
Name: N-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan- 2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxami de
MW: 461.531 | Formula: C22H27N3O6S
H donors: 2 H acceptors: 4 LogP: 2.07 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCc1ccc(cc1)C
InChi: 1S/C22H27N3O6S/c1-16-4-6-17(7-5-16)14-23-21(26)22(27)24-15-20-25(12-3-13-31-20)32(28,29)19-10-8-18(30-2)9-11-19/h4-11,20H,3,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChiKey: XDMUZQQMWDHJPG-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)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(4-methylbenzyl)oxamide
N-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-[(4-methylphenyl)methyl]ethanediamide

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)	jmjC domain-containing protein	0.0123	0.1216	0.3068
Brugia malayi	glutathione reductase	0.0044	0.0172	0.0435
Echinococcus granulosus	peregrin	0.006	0.0379	0.0957
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0941	0.2374
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0089	0.0224
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.0545	0.1374
Echinococcus multilocularis	jumonji domain containing protein	0.0083	0.0687	0.0687
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0139	0.1723
Plasmodium falciparum	phd finger protein, putative	0.006	0.0379	1
Plasmodium vivax	glutathione reductase, putative	0.0044	0.0172	0.2882
Echinococcus multilocularis	PHD finger protein rhinoceros	0.006	0.0379	0.0379
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0139	0.1224
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0089	0.5
Echinococcus granulosus	PHD finger protein rhinoceros	0.006	0.0379	0.0957
Schistosoma mansoni	chromobox protein	0.0068	0.0498	0.1256
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.01	0.0283
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.0878	0.2216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.141	0.3557
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0089	0.0224
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.3963	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0044	0.0172	1
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0498	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.01	0.0914	0.3093
Toxoplasma gondii	thioredoxin reductase	0.0044	0.0172	0.2882
Mycobacterium tuberculosis	Probable reductase	0.01	0.0914	0.3093
Echinococcus granulosus	chromobox protein 1	0.0068	0.0498	0.1256
Onchocerca volvulus	Alhambra homolog	0.006	0.0379	1
Brugia malayi	PHD-finger family protein	0.006	0.0379	0.0957
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0044	0.018	0.018
Plasmodium vivax	thioredoxin reductase, putative	0.0044	0.0172	0.2882
Brugia malayi	RNA recognition motif domain containing protein	0.0331	0.3963	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.01	0.0914	0.3093
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.3963	1
Brugia malayi	TAR-binding protein	0.0331	0.3963	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0089	0.0224
Toxoplasma gondii	PHD-finger domain-containing protein	0.006	0.0379	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.0089	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0155	0.1638	0.4134
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.3963	1
Loa Loa (eye worm)	PHD-finger family protein	0.006	0.0379	0.0957
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0472	0.1191
Brugia malayi	Heterochromatin protein 1	0.0068	0.0498	0.1256
Mycobacterium tuberculosis	Probable oxidoreductase	0.0111	0.1062	0.3645
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.141	0.3557
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.141	0.3557
Mycobacterium tuberculosis	Probable dehydrogenase	0.01	0.0914	0.3093
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0089	0.0224
Echinococcus granulosus	jumonji domain containing protein	0.0083	0.0687	0.1734
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0195	0.2167	0.5468
Brugia malayi	Thioredoxin reductase	0.0044	0.0172	0.0435
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0498	0.1256
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.01	0.0914	0.8485
Plasmodium vivax	hypothetical protein, conserved	0.006	0.0379	1
Trypanosoma brucei	trypanothione reductase	0.0044	0.0172	1
Brugia malayi	jmjC domain containing protein	0.0195	0.2167	0.5468
Loa Loa (eye worm)	RNA binding protein	0.0331	0.3963	1
Schistosoma mansoni	hypothetical protein	0.0164	0.1762	0.4446
Brugia malayi	jmjC domain containing protein	0.0072	0.0545	0.1374
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0044	0.0172	0.0314
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.0878	0.2216
Brugia malayi	RNA binding protein	0.0331	0.3963	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0072	0.0545	0.1374
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0089	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0089	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0089	0.0224
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.0878	0.2216
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0111	0.1062	0.3645
Schistosoma mansoni	hypothetical protein	0.0164	0.1762	0.4446
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0089	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0089	0.0224
Echinococcus multilocularis	tar DNA binding protein	0.0331	0.3963	0.3963
Echinococcus multilocularis	geminin	0.0164	0.1762	0.1762
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0111	0.1062	0.3645
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0138	0.141	0.3557
Brugia malayi	chromobox protein homolog 3	0.0038	0.01	0.0253
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0089	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.01	0.0398
Brugia malayi	beta-lactamase family protein	0.0038	0.0089	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0472	0.1191
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0498	0.0498
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0498	0.0498
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.141	0.141
Echinococcus granulosus	thioredoxin glutathione reductase	0.0044	0.018	0.0455
Brugia malayi	Bromodomain containing protein	0.006	0.0379	0.0957
Schistosoma mansoni	hypothetical protein	0.0067	0.0472	0.1191
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0138	0.141	0.3557
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.01	0.0283
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0195	0.2167	0.2167
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.01	0.0914	0.3093
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.3963	1
Brugia malayi	beta-lactamase	0.0038	0.0089	0.0224
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0498	1
Schistosoma mansoni	chromobox protein	0.0068	0.0498	0.1256
Echinococcus multilocularis	lysine specific demethylase 5A	0.0072	0.0545	0.0545
Loa Loa (eye worm)	thioredoxin reductase	0.0044	0.0172	0.0435
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0139	0.1224
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.006	0.0379	0.0957
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0089	0.0089
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.01	0.0914	0.3093
Loa Loa (eye worm)	TAR-binding protein	0.0331	0.3963	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0089	0.0224
Brugia malayi	MH2 domain containing protein	0.0138	0.1421	0.3585
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0111	0.1062	1
Echinococcus granulosus	geminin	0.0164	0.1762	0.4446
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0331	0.3963	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0089	0.0224
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0089	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0089	0.0224
Loa Loa (eye worm)	MH2 domain-containing protein	0.0138	0.1421	0.3585
Schistosoma mansoni	hypothetical protein	0.006	0.0379	0.0957
Echinococcus granulosus	chromobox protein 1	0.0068	0.0498	0.1256
Toxoplasma gondii	PHD-finger domain-containing protein	0.006	0.0379	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0089	0.0224
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.0545	0.1374
Loa Loa (eye worm)	hypothetical protein	0.0038	0.01	0.0253
Leishmania major	trypanothione reductase	0.0044	0.0172	1
Loa Loa (eye worm)	glutathione reductase	0.0044	0.0172	0.0435
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.141	0.3557
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.3963	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.141	0.3557
Echinococcus multilocularis	peregrin	0.006	0.0379	0.0379
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0089	0.0224
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.141	0.141
Loa Loa (eye worm)	transcription factor SMAD2	0.0138	0.1421	0.3585
Loa Loa (eye worm)	jmjC domain-containing protein	0.0072	0.0545	0.1374
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0878	0.2216
Loa Loa (eye worm)	hypothetical protein	0.006	0.0379	0.0957
Echinococcus granulosus	tar DNA binding protein	0.0331	0.3963	1
Giardia lamblia	PHD finger protein 15	0.006	0.0379	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.2758	1

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 617530