TDR Targets

Basic information

Technical information

TDR Targets ID: 868196
Name: 3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)-2- oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxa mide
MW: 434.531 | Formula: C25H30N4O3
H donors: 2 H acceptors: 2 LogP: 3.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)NC(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(cc1)C(C)(C)C
InChi: 1S/C25H30N4O3/c1-24(2,3)18-10-8-17(9-11-18)21-22(30)28-25(27-21)12-14-29(15-13-25)23(31)26-19-6-5-7-20(16-19)32-4/h5-11,16H,12-15H2,1-4H3,(H,26,31)(H,28,30)
InChiKey: ALWIQVJSYDSXFH-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

3-(4-tert-butylphenyl)-2-keto-N-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide

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
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0339	1	1
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.013	0.3462	0.3033
Mycobacterium tuberculosis	Possible oxygenase	0.0039	0.0616	0.5
Echinococcus multilocularis	cytochrome b5 reductase 4	0.0039	0.0616	0.0616
Entamoeba histolytica	type A flavoprotein, putative	0.013	0.3462	0.5
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0339	1	1
Echinococcus multilocularis	methionine synthase reductase	0.021	0.595	0.595
Brugia malayi	intermediate filament protein	0.0031	0.0367	0.0367
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0367	0.0367
Schistosoma mansoni	hypothetical protein	0.0192	0.541	0.541
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0039	0.0616	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0339	1	1
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0039	0.0616	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.013	0.3462	0.5
Treponema pallidum	flavodoxin	0.013	0.3462	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0939	0.0939
Brugia malayi	diaphorase	0.0039	0.0616	0.0616
Echinococcus granulosus	geminin	0.0192	0.541	0.541
Onchocerca volvulus		0.0039	0.0616	1
Echinococcus multilocularis	NADH cytochrome b5 reductase 3	0.0039	0.0616	0.0616
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.021	0.595	0.595
Echinococcus granulosus	cytochrome b5 reductase 4	0.0039	0.0616	0.0616
Plasmodium vivax	flavodoxin domain containing protein	0.0301	0.8796	0.8717
Schistosoma mansoni	cytochrome B5	0.0039	0.0616	0.0616
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0939	0.0939
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0339	1	1
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0339	1	1
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0039	0.0616	0.0616
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0039	0.0616	0.0616
Brugia malayi	FAD binding domain containing protein	0.0339	1	1
Chlamydia trachomatis	sulfite reductase	0.021	0.595	1
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0367	0.0367
Leishmania major	p450 reductase, putative	0.0339	1	1
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.013	0.3462	0.3033
Echinococcus multilocularis	geminin	0.0192	0.541	0.541
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0939	0.0939
Mycobacterium tuberculosis	Probable monooxygenase	0.0039	0.0616	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0339	1	1
Giardia lamblia	Hypothetical protein	0.0301	0.8796	1
Loa Loa (eye worm)	diaphorase	0.0039	0.0616	0.0616
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.013	0.3462	0.3033
Entamoeba histolytica	type A flavoprotein, putative	0.013	0.3462	0.5
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.013	0.3462	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0367	0.0367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0939	0.0939
Entamoeba histolytica	type A flavoprotein, putative	0.013	0.3462	0.5
Toxoplasma gondii	flavodoxin domain-containing protein	0.0168	0.4666	1
Chlamydia trachomatis	Na(+)-translocating NADH-quinone reductase subunit F	0.0039	0.0616	0.1035
Trypanosoma cruzi	p450 reductase, putative	0.0339	1	1
Echinococcus granulosus	intermediate filament protein	0.0031	0.0367	0.0367
Echinococcus granulosus	methionine synthase reductase	0.021	0.595	0.595
Mycobacterium tuberculosis	Probable oxidoreductase	0.0039	0.0616	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0939	0.0939
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0939	0.0939
Schistosoma mansoni	diflavin oxidoreductase	0.0168	0.4666	0.4666
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.013	0.3462	0.3033
Plasmodium falciparum	nitric oxide synthase, putative	0.0339	1	1
Echinococcus granulosus	lamin	0.0031	0.0367	0.0367
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0339	1	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0339	1	1
Schistosoma mansoni	lamin	0.0031	0.0367	0.0367
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0171	0.4746	0.4746
Onchocerca volvulus		0.0031	0.0367	0.5955
Entamoeba histolytica	type A flavoprotein, putative	0.013	0.3462	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0939	0.0939
Echinococcus multilocularis	lamin	0.0031	0.0367	0.0367
Schistosoma mansoni	lamin	0.0031	0.0367	0.0367
Onchocerca volvulus		0.0031	0.0367	0.5955
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0339	1	1
Brugia malayi	flavodoxin family protein	0.013	0.3462	0.3462
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0367	0.0367
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0339	1	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0339	1	1
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0301	0.8796	0.8159
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0339	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0939	0.0939
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0367	0.0367
Brugia malayi	FAD binding domain containing protein	0.021	0.595	0.595
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0039	0.0616	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0939	0.0939
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0339	1	1
Echinococcus granulosus	lamin dm0	0.0031	0.0367	0.0367
Leishmania major	cytochrome P450 reductase, putative	0.0301	0.8796	0.8717
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0339	1	1
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.013	0.3462	0.3033
Toxoplasma gondii	flavodoxin domain-containing protein	0.0168	0.4666	1
Echinococcus multilocularis	lamin dm0	0.0031	0.0367	0.0367
Trichomonas vaginalis	sulfite reductase, putative	0.0339	1	1
Echinococcus multilocularis	musashi	0.0031	0.0367	0.0367
Schistosoma mansoni	cytochrome P450 reductase	0.0339	1	1
Leishmania major	hypothetical protein, conserved	0.013	0.3462	0.3033
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0339	1	1
Schistosoma mansoni	hypothetical protein	0.0192	0.541	0.541
Giardia lamblia	Nitric oxide synthase, inducible	0.0301	0.8796	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.021	0.595	0.595
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0339	1	1
Loa Loa (eye worm)	flavodoxin family protein	0.013	0.3462	0.3462
Echinococcus granulosus	cytochrome b5 reductase 4	0.0039	0.0616	0.0616
Plasmodium vivax	hypothetical protein, conserved	0.013	0.3462	0.3033
Echinococcus granulosus	NADH cytochrome b5 reductase 3	0.0039	0.0616	0.0616

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 868196