TDR Targets

Basic information

Technical information

TDR Targets ID: 617493
Name: N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2 -yl]methyl]-N'-[(2-methoxyphenyl)methyl]oxami de
MW: 465.495 | Formula: C21H24FN3O6S
H donors: 2 H acceptors: 4 LogP: 1.81 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1CNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(cc1)F
InChi: 1S/C21H24FN3O6S/c1-30-18-6-3-2-5-15(18)13-23-20(26)21(27)24-14-19-25(11-4-12-31-19)32(28,29)17-9-7-16(22)8-10-17/h2-3,5-10,19H,4,11-14H2,1H3,(H,23,26)(H,24,27)
InChiKey: UVNZBVQLUMPYHA-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-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(2-methoxybenzyl)oxamide
N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-[(2-methoxyphenyl)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)	hypothetical protein	0.0031	0.0039	0.0066
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0097	0.0892	0.3152
Loa Loa (eye worm)	hypothetical protein	0.0036	0.01	0.0271
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.013	0.0119
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.0821	0.2718
Loa Loa (eye worm)	glutathione reductase	0.0038	0.013	0.0373
Plasmodium vivax	glutathione reductase, putative	0.0038	0.013	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.01	0.7272
Mycobacterium tuberculosis	Probable dehydrogenase	0.0087	0.0766	0.2649
Plasmodium falciparum	glutathione reductase	0.0038	0.013	1
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2967	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.013	1
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.013	0.0373
Loa Loa (eye worm)	RNA binding protein	0.0257	0.2967	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.09	0.0881
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0191	1
Leishmania major	trypanothione reductase	0.0038	0.013	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.12	0.4005
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0557	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0039	0.0136	0.0117
Brugia malayi	glutathione reductase	0.0038	0.013	0.0373
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0557	0.1823
Brugia malayi	RNA recognition motif domain containing protein	0.0257	0.2967	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0151	0.2714
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0294	0.0931
Giardia lamblia	PHD finger protein 15	0.003	0.002	0.5
Echinococcus granulosus	chromobox protein 1	0.0071	0.0557	0.1823
Brugia malayi	chromobox protein homolog 3	0.004	0.0151	0.0446
Brugia malayi	beta-lactamase family protein	0.0036	0.01	0.0271
Echinococcus granulosus	thioredoxin glutathione reductase	0.0039	0.0136	0.0395
Echinococcus granulosus	tar DNA binding protein	0.0257	0.2967	1
Brugia malayi	beta-lactamase family protein	0.0036	0.01	0.0271
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0087	0.0766	0.2649
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0101	0.0276
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0821	0.2718
Loa Loa (eye worm)	hypothetical protein	0.004	0.0151	0.0446
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.01	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0036	0.01	0.0271
Mycobacterium ulcerans	lipase LipD	0.0036	0.01	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0294	0.0931
Echinococcus granulosus	chromobox protein 1	0.0071	0.0557	0.1823
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.01	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0432	0.1397
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0097	0.0892	1
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2967	1
Trichomonas vaginalis	esterase, putative	0.0036	0.01	0.1791
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0151	0.7695
Toxoplasma gondii	thioredoxin reductase	0.0038	0.013	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0821	0.2718
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.01	0.1791
Onchocerca volvulus		0.0031	0.0039	0.1137
Toxoplasma gondii	ABC1 family protein	0.0036	0.01	0.7272
Onchocerca volvulus		0.0036	0.01	0.4681
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0257	0.2967	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.01	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0085	0.0222
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0639	0.2102
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0557	0.0538
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.2614	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.0821	0.2718
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.01	0.0271
Plasmodium falciparum	thioredoxin reductase	0.0038	0.013	1
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0191	0.3419
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0087	0.0766	0.8405
Schistosoma mansoni	chromobox protein	0.0071	0.0557	0.1823
Loa Loa (eye worm)	hypothetical protein	0.0036	0.01	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0296	0.0937
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0101	0.0276
Echinococcus multilocularis	tar DNA binding protein	0.0257	0.2967	0.2953
Loa Loa (eye worm)	beta-lactamase	0.0036	0.01	0.0271
Brugia malayi	beta-lactamase	0.0036	0.01	0.0271
Brugia malayi	RNA binding protein	0.0257	0.2967	1
Loa Loa (eye worm)	TAR-binding protein	0.0257	0.2967	1
Brugia malayi	jmjC domain containing protein	0.0036	0.0101	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0036	0.01	0.0271
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.01	0.1791
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.01	0.008
Mycobacterium tuberculosis	Probable oxidoreductase	0.0097	0.0892	0.3152
Schistosoma mansoni	chromobox protein	0.0071	0.0557	0.1823
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0085	0.0222
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0087	0.0766	0.2649
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0191	0.3419
Loa Loa (eye worm)	hypothetical protein	0.0036	0.01	0.0271
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.01	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0171	0.0514
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0557	1
Mycobacterium tuberculosis	Probable reductase	0.0087	0.0766	0.2649
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0101	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0036	0.01	0.0271
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.01	0.1791
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2967	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.12	0.4005
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0821	0.2718
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0821	0.0803
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0087	0.0766	0.2649
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.01	0.0271
Brugia malayi	MH2 domain containing protein	0.0121	0.12	0.4005
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0557	0.0538
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2967	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.01	0.1791
Trypanosoma brucei	trypanothione reductase	0.0038	0.013	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0294	0.0931
Brugia malayi	Thioredoxin reductase	0.0038	0.013	0.0373
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.09	0.2985
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.01	0.0271
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0294	0.0931
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.01	0.0271
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0151	0.2714
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0101	0.0276
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0097	0.0892	0.3152
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0101	0.0276
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0821	0.2718
Mycobacterium ulcerans	beta-lactamase	0.0036	0.01	0.5
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0087	0.0766	0.2649
Onchocerca volvulus		0.0036	0.01	0.4681
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2967	1
Brugia malayi	jmjC domain containing protein	0.0097	0.09	0.2985
Brugia malayi	Heterochromatin protein 1	0.0071	0.0557	0.1823
Onchocerca volvulus		0.0036	0.01	0.4681
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0821	0.2718
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.01	0.1791
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0171	0.0152
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.013	1
Brugia malayi	TAR-binding protein	0.0257	0.2967	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0085	0.0222
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0821	0.0803

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 617493