TDR Targets

Basic information

Technical information

TDR Targets ID: 725154
Name: 4-tert-butyl-N-[[3-(2-methoxyphenyl)-1,2,4-ox adiazol-5-yl]methyl]benzamide
MW: 365.426 | Formula: C21H23N3O3
H donors: 1 H acceptors: 3 LogP: 4.25 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1c1noc(n1)CNC(=O)c1ccc(cc1)C(C)(C)C
InChi: 1S/C21H23N3O3/c1-21(2,3)15-11-9-14(10-12-15)20(25)22-13-18-23-19(24-27-18)16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,25)
InChiKey: PLYFOHZTVHLCGI-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

ZINC06702310

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
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.02	0.0156
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0037	0.005	0.5
Brugia malayi	Cache domain containing protein	0.04	0.1903	0.9754
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.01	0.0339
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.01	0.0153
Schistosoma mansoni	serine-rich repeat protein	0.0466	0.2243	0.5196
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.01	0.0056
Echinococcus granulosus	chromobox protein 1	0.0068	0.021	0.0166
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0072	0.0321
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0056	0.015	0.0106
Onchocerca volvulus		0.007	0.0218	0.0915
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0116	0.0522
Schistosoma mansoni	hypothetical protein	0.0037	0.005	0.0034
Treponema pallidum	methyl-accepting chemotaxis protein (mcp2-1)	0.1838	0.9251	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.01	0.0056
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Echinococcus multilocularis	survival motor neuron protein 1	0.0242	0.1096	0.1056
Echinococcus granulosus	tar DNA binding protein	0.0066	0.02	0.0156
Brugia malayi	Pre-SET motif family protein	0.0409	0.195	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0081	0.0275	0.1342
Brugia malayi	RNA binding protein	0.0066	0.02	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Loa Loa (eye worm)	hypothetical protein	0.005	0.0116	0.0522
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0161	0.0296
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0116	0.042
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.02	0.0388
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0113	0.0407
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Schistosoma mansoni	hypothetical protein	0.0037	0.005	0.0034
Echinococcus multilocularis	collagen alpha 1(VII) chain	0.0037	0.005	0.0005
Onchocerca volvulus		0.0037	0.005	0.0157
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0037	0.005	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0252	0.115	0.5868
Brugia malayi	von Willebrand Factor	0.0037	0.005	0.0076
Echinococcus multilocularis	chromobox protein 1	0.0068	0.021	0.0166
Brugia malayi	Zona pellucida-like domain containing protein	0.0037	0.005	0.0076
Brugia malayi	Fli-1 protein	0.0245	0.1115	0.564
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Brugia malayi	TAR-binding protein	0.0066	0.02	0.0861
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.02	0.0388
Brugia malayi	Ets-domain containing protein	0.0081	0.0275	0.1249
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0903	0.4473	0.4448
Loa Loa (eye worm)	hypothetical protein	0.04	0.1903	0.9756
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.02	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.021	0.101
Brugia malayi	Ets-domain containing protein	0.0081	0.0275	0.1249
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0037	0.005	0.0076
Onchocerca volvulus		0.0049	0.0113	0.0443
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0866	0.4284	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.01	0.0442
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0057	0.0255
Echinococcus granulosus	GA binding protein alpha chain	0.0081	0.0275	0.023
Echinococcus granulosus	geminin	0.0173	0.0746	0.0704
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0059	0.0161	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0057	0.0255
Brugia malayi	chromobox protein homolog 3	0.0038	0.0057	0.0113
Onchocerca volvulus		0.0037	0.005	0.0157
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.02	0.0388
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0059	0.0161	0.0117
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0037	0.005	0.0181
Loa Loa (eye worm)	RNA binding protein	0.0066	0.02	0.0958
Schistosoma mansoni	chromobox protein	0.0068	0.021	0.0412
Schistosoma mansoni	gabp alpha	0.0081	0.0275	0.0563
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0409	0.195	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0072	0.0257
Onchocerca volvulus		0.0037	0.005	0.0157
Brugia malayi	Zona pellucida-like domain containing protein	0.0037	0.005	0.0076
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.01	0.0056
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0037	0.005	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0035	0.0106
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0037	0.005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Entamoeba histolytica	hypothetical protein	0.0037	0.005	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.02	0.0388
Brugia malayi	hypothetical protein	0.0242	0.1096	0.5539
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Entamoeba histolytica	hypothetical protein, conserved	0.0037	0.005	1
Onchocerca volvulus		0.0037	0.005	0.0157
Echinococcus multilocularis	GA binding protein alpha chain	0.0081	0.0275	0.023
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0903	0.4473	0.4448
Schistosoma mansoni	hypothetical protein	0.0466	0.2243	0.5196
Brugia malayi	Heterochromatin protein 1	0.0068	0.021	0.0914
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0436	0.2091	0.4838
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Echinococcus granulosus	collagen alpha 1VII chain	0.0037	0.005	0.0005
Loa Loa (eye worm)	CUTiclin-Like family member	0.0037	0.005	0.0181
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0116	0.042
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0037	0.005	0.0076
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1985	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.021	0.094
Schistosoma mansoni	hypothetical protein	0.0173	0.0746	0.1673
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0215	0.1032
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.01	0.0056
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.021	0.094
Trichomonas vaginalis	set domain proteins, putative	0.0465	0.2239	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0237	0.107	0.5455
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Echinococcus granulosus	survival motor neuron protein 1	0.0242	0.1096	0.1056
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Loa Loa (eye worm)	CUTiclin family member	0.0037	0.005	0.0181
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0161	0.0296
Brugia malayi	hypothetical protein	0.0037	0.005	0.0076
Schistosoma mansoni	ets-related	0.0245	0.1115	0.2541
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0037	0.005	0.0181
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.02	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0242	0.1096	0.5586
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0161	0.0756
Brugia malayi	hypothetical protein	0.0036	0.0045	0.0051
Entamoeba histolytica	hypothetical protein, conserved	0.0037	0.005	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0057	0.0218
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0045	0.0023
Echinococcus granulosus	histone lysine methyltransferase setb	0.0059	0.0161	0.0117
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0161	0.0296
Brugia malayi	follicle stimulating hormone receptor	0.0237	0.107	0.5406
Brugia malayi	Pre-SET motif family protein	0.0059	0.0161	0.0657
Schistosoma mansoni	hypothetical protein	0.0173	0.0746	0.1673
Schistosoma mansoni	chromobox protein	0.0068	0.021	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Plasmodium vivax	SET domain protein, putative	0.0059	0.0161	1
Brugia malayi	MH2 domain containing protein	0.0252	0.115	0.5823
Onchocerca volvulus		0.0037	0.005	0.0157
Schistosoma mansoni	hypothetical protein	0.0049	0.0113	0.0183
Plasmodium falciparum	von Willebrand factor A domain-related protein	0.0037	0.005	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.01	0.0153
Onchocerca volvulus		0.0037	0.005	0.0157
Brugia malayi	von Willebrand factor type A domain containing protein	0.0037	0.005	0.0076
Loa Loa (eye worm)	fli-1 protein	0.0245	0.1115	0.5686
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.007	0.0218	0.043
Echinococcus granulosus	chromobox protein 1	0.0068	0.021	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Onchocerca volvulus		0.0037	0.005	0.0157
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0059	0.0161	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0113	0.0183
Onchocerca volvulus		0.0465	0.2239	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0252	0.115	0.5868
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.02	0.0861
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.01	0.0153
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0072	0.0321
Schistosoma mansoni	hypothetical protein	0.0036	0.0045	0.0023
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.02	0.0958
Echinococcus multilocularis	geminin	0.0173	0.0746	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0037	0.005	0.0181
Echinococcus multilocularis	chromobox protein 1	0.0068	0.021	0.0166
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0057	0.019

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 725154