TDR Targets

Basic information

Technical information

TDR Targets ID: 787650
Name: N-[(4-fluorophenyl)methyl]-2-[[5-methyl-2-(2- methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl] acetamide
MW: 400.466 | Formula: C21H21FN2O3S
H donors: 1 H acceptors: 3 LogP: 2.9 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=S(Cc1nc(oc1C)c1ccccc1C)CC(=O)NCc1ccc(cc1)F
InChi: 1S/C21H21FN2O3S/c1-14-5-3-4-6-18(14)21-24-19(15(2)27-21)12-28(26)13-20(25)23-11-16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChiKey: ANOPZDOJQSHRDF-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

N-[(4-fluorophenyl)methyl]-2-[[5-methyl-2-(2-methylphenyl)oxazol-4-yl]methylsulfinyl]acetamide
N-[(4-fluorophenyl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide
N-(4-fluorobenzyl)-2-[[5-methyl-2-(2-methylphenyl)oxazol-4-yl]methylsulfinyl]acetamide
N-[(4-fluorophenyl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanamide

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
Brugia malayi	AMP-binding enzyme family protein	0.0188	0.4996	0.4996
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0563	0.0941
Toxoplasma gondii	ABC1 family protein	0.0035	0.0563	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.027	0.0424
Leishmania major	fatty acid transporter protein-like protein	0.018	0.4757	1
Brugia malayi	hypothetical protein	0.0016	0.0033	0.0033
Brugia malayi	hypothetical protein	0.0236	0.637	0.637
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0838	0.1738
Loa Loa (eye worm)	transcription factor SMAD2	0.0362	1	1
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0188	0.4996	1
Brugia malayi	MH1 domain containing protein	0.0025	0.027	0.027
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0563	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0563	0.0563
Echinococcus multilocularis	Niemann Pick C1 protein	0.0102	0.2499	0.3924
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0838	0.0838
Schistosoma mansoni	ap endonuclease	0.0019	0.0103	0.0213
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0953	0.0953
Echinococcus granulosus	expressed conserved protein	0.0096	0.2321	0.3644
Echinococcus granulosus	neuropeptide receptor	0.0151	0.3922	0.6157
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0563	0.0563
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.637	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0563	0.0563
Echinococcus multilocularis	expressed conserved protein	0.0096	0.2321	0.3644
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0953	0.0953
Loa Loa (eye worm)	hypothetical protein	0.0236	0.637	0.637
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0821	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0563	0.0941
Echinococcus granulosus	Niemann Pick C1 protein	0.0146	0.3761	0.5905
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0188	0.4996	0.4996
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.027	0.027
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.018	0.4757	0.7923
Schistosoma mansoni	hypothetical protein	0.0164	0.43	0.891
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0103	0.0161
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0563	0.0563
Loa Loa (eye worm)	Smad1	0.0025	0.027	0.027
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0563	0.0784
Echinococcus multilocularis	protein patched	0.0044	0.0821	0.1288
Echinococcus multilocularis	smad	0.0025	0.027	0.0424
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0563	0.6416
Echinococcus multilocularis	neuropeptide receptor	0.0151	0.3922	0.6157
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0103	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0103	0.0103
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0821	0.1288
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0563	0.0784
Schistosoma mansoni	hypothetical protein	0.0042	0.0775	0.1606
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0512	0.0512
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0821	0.1288
Schistosoma mansoni	patched 1	0.0044	0.0821	0.17
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0821	0.0821
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.637	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.027	0.056
Schistosoma mansoni	smad1 5 8 and	0.0025	0.027	0.056
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0293	0.4132
Brugia malayi	MH2 domain containing protein	0.0025	0.027	0.027
Loa Loa (eye worm)	MH2 domain-containing protein	0.0362	1	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0103	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0821	0.0821
Echinococcus multilocularis	Smad4	0.0025	0.027	0.0424
Schistosoma mansoni	hypothetical protein	0.0164	0.43	0.891
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0953	0.0953
Echinococcus multilocularis	geminin	0.0164	0.43	0.675
Schistosoma mansoni	hypothetical protein	0.0042	0.0775	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0953	0.0953
Schistosoma mansoni	hypothetical protein	0.0042	0.0775	0.1606
Brugia malayi	MH2 domain containing protein	0.0025	0.027	0.027
Echinococcus granulosus	geminin	0.0164	0.43	0.675
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0948	0.0948
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0821	0.1288
Schistosoma mansoni	hypothetical protein	0.0042	0.0775	0.1606
Echinococcus multilocularis	G protein coupled receptor 139	0.0151	0.3922	0.6157
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0948	0.1964
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0613	0.0962
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0563	0.0784
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0563	0.6416
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0563	0.0563
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0563	0.6416
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0102	0.2499	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0512	0.1061
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0563	0.0975
Echinococcus granulosus	Niemann Pick C1 protein	0.0102	0.2499	0.3924
Schistosoma mansoni	ap endonuclease	0.0019	0.0103	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0512	0.0512
Schistosoma mansoni	hypothetical protein	0.0036	0.0613	0.127
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2128
Schistosoma mansoni	smad1 5 8 and	0.0025	0.027	0.056
Schistosoma mansoni	smad1 5 8 and	0.0025	0.027	0.056
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0182	0.4825	0.7576
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0838	0.1316
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0563	0.0884
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.2545	0.5273
Trichomonas vaginalis	esterase, putative	0.0035	0.0563	0.6416
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0838	0.0838
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0293	0.0293
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2128
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0293	1
Schistosoma mansoni	Smad4	0.0025	0.027	0.056
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2128
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0563	0.0563
Brugia malayi	Smad1	0.0025	0.027	0.027
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0613	0.127
Brugia malayi	beta-lactamase family protein	0.0035	0.0563	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1104	0.1104
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0103	0.5
Brugia malayi	MH1 domain containing protein	0.0025	0.027	0.027
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0103	0.0161
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0563	0.0884
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0563	0.0784
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0563	0.0784
Onchocerca volvulus		0.0048	0.0948	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0613	0.0962
Brugia malayi	hypothetical protein	0.0025	0.0293	0.0293
Brugia malayi	beta-lactamase	0.0035	0.0563	0.0563
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0293	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0563	0.0784
Brugia malayi	Niemann-Pick C1 protein precursor	0.0102	0.2499	0.2499
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.027	0.0424
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0838	0.1316
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2128
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0838	0.1316
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0222	0.5977	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0563	0.0784
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0563	0.0941
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.018	0.4757	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0293	0.0403
Brugia malayi	CHE-14 protein	0.0044	0.0821	0.0821
Schistosoma mansoni	smad	0.0025	0.027	0.056
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0182	0.4825	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0948	0.1964
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0563	0.0941
Leishmania major	hypothetical protein, conserved	0.0035	0.0563	0.099
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0563	0.1167
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0563	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0293	0.4132
Echinococcus multilocularis	protein dispatched 1	0.005	0.0999	0.1568
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0293	0.4132
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.027	0.0424
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0293	0.0403
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0103	0.0103
Echinococcus multilocularis	Niemann Pick C1 protein	0.0146	0.3761	0.5905
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0563	0.0784
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0838	0.1316
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0563	0.0784
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0563	0.6416
Leishmania major	hypothetical protein, conserved	0.0025	0.0293	0.0409
Brugia malayi	beta-lactamase family protein	0.0035	0.0563	0.0563
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0563	0.0563
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0182	0.4825	0.7576
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.027	0.027
Brugia malayi	hypothetical protein	0.0036	0.0613	0.0613
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0838	0.1738
Echinococcus granulosus	smad	0.0025	0.027	0.0424
Echinococcus granulosus	Smad4	0.0025	0.027	0.0424
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0563	0.6416
Schistosoma mansoni	FFA transport protein	0.0182	0.4825	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0563	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0563	0.0563
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0563	0.0975
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0838	0.1738
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0563	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2499	0.2499
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.027	0.0424
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0563	0.0941
Schistosoma mansoni	neuropeptide receptor	0.0151	0.3922	0.8127
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0182	0.4825	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0563	0.0784

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

Search by Saint Jude

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 787650