TDR Targets

Basic information

Technical information

TDR Targets ID: 834307
Name: 4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiaz ol-5-yl]methyl]-3-nitro-N-propan-2-ylbenzamid e
MW: 394.424 | Formula: C21H22N4O4
H donors: 0 H acceptors: 5 LogP: 4.15 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)c1noc(n1)CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])C)C(C)C
InChi: 1S/C21H22N4O4/c1-13(2)24(21(26)17-10-7-15(4)18(11-17)25(27)28)12-19-22-20(23-29-19)16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3
InChiKey: PBJIPCQRUABMPE-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-isopropyl-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-benzamide
N-isopropyl-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide
4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-propan-2-yl-benzamide
STK266845

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
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0206	0.4855
Brugia malayi	hypothetical protein	0.0055	0.0232	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.005	0.0969
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0412	1
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0068	0.0409	0.1033
Brugia malayi	hypothetical protein	0.0039	0.0025	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0232	0.1054
Schistosoma mansoni	organic anion transporter	0.0055	0.0232	0.0586
Brugia malayi	chromobox protein homolog 3	0.0038	0.0011	0.0051
Echinococcus multilocularis	peroxidasin	0.0039	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Schistosoma mansoni	chromobox protein	0.0068	0.0412	0.104
Echinococcus multilocularis	neuropeptide receptor A26	0.0479	0.5899	0.5899
Echinococcus granulosus	geminin	0.0333	0.3957	0.6708
Trypanosoma cruzi	MFS transporter, putative	0.0055	0.0232	0.1297
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0068	0.0409	0.0693
Onchocerca volvulus	Peroxidase homolog	0.0039	0.0025	0.0115
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0068	0.0409	1
Loa Loa (eye worm)	animal heme peroxidase	0.0039	0.0025	0.0115
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0068	0.0409	0.1579
Schistosoma mansoni	peroxidasin	0.0039	0.0025	0.0064
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0202	0.2202	0.2202
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Giardia lamblia	Kinase, CMGC MAPK	0.0053	0.0206	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0479	0.5899	0.5899
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.005	0.0227
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0412	0.1869
Echinococcus granulosus	neuropeptide receptor A26	0.0479	0.5899	1
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0055	0.0232	0.0232
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0068	0.0409	1
Brugia malayi	Animal haem peroxidase family protein	0.0039	0.0025	0.0115
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0202	0.2202	0.5566
Schistosoma mansoni	chromobox protein	0.0068	0.0412	0.104
Onchocerca volvulus		0.0055	0.0232	0.1054
Loa Loa (eye worm)	animal heme peroxidase	0.0039	0.0025	0.0115
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.0206	0.0206
Onchocerca volvulus		0.0055	0.0232	0.1054
Loa Loa (eye worm)	blistered cuticle protein 3	0.0039	0.0025	0.0115
Onchocerca volvulus		0.0055	0.0232	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Echinococcus granulosus	peroxidasin	0.0039	0.0025	0.0043
Onchocerca volvulus		0.0055	0.0232	0.1054
Brugia malayi	MH2 domain containing protein	0.0117	0.1062	0.4821
Brugia malayi	Animal haem peroxidase family protein	0.0039	0.0025	0.0115
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0055	0.0232	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0011	0.0051
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0206	0.4855
Onchocerca volvulus	Chorion peroxidase homolog	0.0039	0.0025	0.0115
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.0206	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0232	0.1054
Onchocerca volvulus		0.0039	0.0025	0.0115
Onchocerca volvulus		0.0039	0.0025	0.0115
Brugia malayi	sodium-independent organic anion transporter family protein	0.0055	0.0232	0.1054
Schistosoma mansoni	organic anion transporter	0.0055	0.0232	0.0586
Brugia malayi	sodium-independent organic anion transporter family protein	0.0055	0.0232	0.1054
Onchocerca volvulus	Dual oxidase homolog	0.0039	0.0025	0.0115
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0068	0.0409	0.0409
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0232	0.1054
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0412	0.0412
Brugia malayi	prolyl oligopeptidase family protein	0.0068	0.0409	0.1857
Brugia malayi	Animal haem peroxidase family protein	0.0039	0.0025	0.0115
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.0206	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0412	1
Brugia malayi	Blistered cuticle protein 3	0.0039	0.0025	0.0115
Brugia malayi	prostaglandin transporter	0.0055	0.0232	0.1054
Schistosoma mansoni	hypothetical protein	0.0333	0.3957	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0053	0.0206	0.0794
Brugia malayi	Animal haem peroxidase family protein	0.0039	0.0025	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.0206	0.0934
Loa Loa (eye worm)	animal heme peroxidase	0.0039	0.0025	0.0115
Onchocerca volvulus		0.0055	0.0232	0.1054
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.1062	0.4821
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0232	0.1054
Brugia malayi	MAP kinase sur-1	0.0053	0.0206	0.0934
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0206	0.4855
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0232	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0232	0.1054
Echinococcus granulosus	neuropeptide s receptor	0.0479	0.5899	1
Onchocerca volvulus	Peroxidasin homolog	0.0039	0.0025	0.0115
Schistosoma mansoni	hypothetical protein	0.0333	0.3957	1
Onchocerca volvulus	Putative organic anion transporter	0.0055	0.0232	0.1054
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0202	0.2202	0.3733
Onchocerca volvulus	Peroxidase homolog	0.0039	0.0025	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Onchocerca volvulus	Putative organic anion transporter	0.0055	0.0232	0.1054
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0068	0.0409	1
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0068	0.0409	1
Brugia malayi	sodium-independent organic anion transporter family protein	0.0055	0.0232	0.1054
Echinococcus multilocularis	geminin	0.0333	0.3957	0.3957
Brugia malayi	Heterochromatin protein 1	0.0068	0.0412	0.1869
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0068	0.0409	1
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.0231	0.259	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.005	0.0969
Brugia malayi	hypothetical protein	0.0052	0.0195	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0232	0.1054
Brugia malayi	hypothetical protein	0.0055	0.0232	0.1054
Onchocerca volvulus	Peroxidasin homolog	0.0039	0.0025	0.0115
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0055	0.0232	0.0393
Onchocerca volvulus		0.0039	0.0025	0.0115
Brugia malayi	prolyl oligopeptidase family protein	0.0202	0.2202	1
Brugia malayi	Peroxidasin	0.0039	0.0025	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Echinococcus granulosus	chromobox protein 1	0.0068	0.0412	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0055	0.0232	0.0232
Toxoplasma gondii	transporter, major facilitator family protein	0.0055	0.0232	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Echinococcus granulosus	chromobox protein 1	0.0068	0.0412	0.0698
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.1062	0.4821
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0011	0.0051
Onchocerca volvulus	Putative organic anion transporter	0.0055	0.0232	0.1054
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Loa Loa (eye worm)	animal heme peroxidase	0.0039	0.0025	0.0115
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0202	0.2202	1
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.0206	0.052
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0115
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0206	0.4855
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0055	0.0232	0.1054
Schistosoma mansoni	peroxidasin	0.0039	0.0025	0.0064
Brugia malayi	Animal haem peroxidase family protein	0.0039	0.0025	0.0115
Loa Loa (eye worm)	prolyl oligopeptidase	0.0202	0.2202	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0195	0.0885
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0412	0.0412

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 834307