TDR Targets

Basic information

Technical information

TDR Targets ID: 1161727
Name: phenylmethyl 2-[1-butyl-2,5-dioxo-9-[[4-(phen oxy)phenyl]methyl]-1,4,9-triazaspiro[5.5]unde can-3-yl]acetate
MW: 569.691 | Formula: C34H39N3O5
H donors: 1 H acceptors: 3 LogP: 4.88 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CCCCN1C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccccc1
InChi: 1S/C34H39N3O5/c1-2-3-20-37-32(39)30(23-31(38)41-25-27-10-6-4-7-11-27)35-33(40)34(37)18-21-36(22-19-34)24-26-14-16-29(17-15-26)42-28-12-8-5-9-13-28/h4-17,30H,2-3,18-25H2,1H3,(H,35,40)
InChiKey: VOTLOSHWWAQODX-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

2-[1-butyl-2,5-dioxo-9-[[4-(phenoxy)phenyl]methyl]-1,4,9-triazaspiro[5.5]undecan-3-yl]acetic acid phenylmethyl ester
2-[1-butyl-2,5-diketo-9-[4-(phenoxy)benzyl]-1,4,9-triazaspiro[5.5]undecan-3-yl]acetic acid benzyl ester
phenylmethyl 2-[1-butyl-2,5-dioxo-9-[[4-(phenoxy)phenyl]methyl]-1,4,9-triazaspiro[5.5]undecan-3-yl]ethanoate

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	conserved hypothetical protein	0.0028	0.0466	0.1726
Loa Loa (eye worm)	hypothetical protein	0.015	0.5264	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0122	0.0232
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0787	0.0807
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1981	0.7197
Trichomonas vaginalis	glutathione reductase, putative	0.0029	0.0533	0.2064
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0193	0.6963	0.83
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0787	0.1496
Onchocerca volvulus		0.0036	0.0787	0.459
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0533	0.1013
Trypanosoma cruzi	trypanothione reductase, putative	0.0085	0.2705	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0022	0.0227	0.0432
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0787	0.2576
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0533	0.1592
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0029	0.0533	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0787	0.0807
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1183	0.1954
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1183	0.1183
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1336	0.2539
Echinococcus multilocularis	chromobox protein 1	0.007	0.2114	0.3491
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0787	0.0807
Brugia malayi	beta-lactamase family protein	0.0036	0.0787	0.1496
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0029	0.0533	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0582	0.1106
Echinococcus granulosus	chromobox protein 1	0.007	0.2114	0.3491
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0029	0.0533	0.0499
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0533	0.1592
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1336	0.2539
Mycobacterium tuberculosis	Probable oxidoreductase	0.0215	0.7809	0.9327
Toxoplasma gondii	thioredoxin reductase	0.0085	0.2705	1
Brugia malayi	glutathione reductase	0.0085	0.2705	0.5139
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1183	0.2247
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0122	0.0202
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0215	0.7809	0.9327
Leishmania major	trypanothione reductase	0.0085	0.2705	1
Echinococcus multilocularis	muscleblind protein	0.015	0.5264	0.8694
Trichomonas vaginalis	chromobox protein, putative	0.007	0.2114	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.1981	0.3272
Toxoplasma gondii	NADPH-glutathione reductase	0.0029	0.0533	0.1592
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0787	0.2576
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0122	0.0232
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.1981	0.3763
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0029	0.0533	0.6179
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0787	0.0807
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1183	0.1183
Trichomonas vaginalis	mercuric reductase, putative	0.0029	0.0533	0.2064
Schistosoma mansoni	ap endonuclease	0.0019	0.0122	0.0122
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.8363	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0787	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1981	0.7197
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0193	0.6963	0.83
Trichomonas vaginalis	esterase, putative	0.0036	0.0787	0.3341
Echinococcus granulosus	chromobox protein 1	0.007	0.2114	0.3491
Treponema pallidum	NADH oxidase	0.0029	0.0533	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Loa Loa (eye worm)	hypothetical protein	0.015	0.5264	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0787	0.1496
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1183	0.1954
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0029	0.0533	0.6179
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.1981	1
Plasmodium falciparum	thioredoxin reductase	0.0085	0.2705	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0029	0.0533	0.1592
Echinococcus granulosus	geminin	0.017	0.6054	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0122	0.0202
Brugia malayi	beta-lactamase family protein	0.0036	0.0787	0.1496
Echinococcus multilocularis	geminin	0.017	0.6054	1
Brugia malayi	Heterochromatin protein 1	0.007	0.2114	0.4015
Echinococcus multilocularis	chromobox protein 1	0.007	0.2114	0.3491
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0787	0.1496
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.1981	0.3763
Onchocerca volvulus		0.0036	0.0787	0.459
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0787	0.13
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0029	0.0533	0.1592
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0787	0.3341
Echinococcus granulosus	thioredoxin glutathione reductase	0.0085	0.2725	0.45
Plasmodium falciparum	thioredoxin reductase	0.0029	0.0533	0.1592
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0215	0.7809	0.9327
Brugia malayi	Thioredoxin reductase	0.0085	0.2705	0.5139
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0787	0.0807
Echinococcus multilocularis	muscleblind protein 1	0.015	0.5264	0.8694
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0193	0.6963	0.83
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1183	0.2247
Schistosoma mansoni	hypothetical protein	0.0034	0.0718	0.0718
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.1981	0.1981
Brugia malayi	beta-lactamase	0.0036	0.0787	0.1496
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1029	0.4555
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0193	0.6963	0.83
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1183	0.1954
Schistosoma mansoni	hypothetical protein	0.017	0.6054	0.6054
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0029	0.0533	0.1592
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0533	0.0881
Trypanosoma cruzi	trypanothione reductase, putative	0.0029	0.0533	0.1592
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0787	0.3341
Plasmodium vivax	glutathione reductase, putative	0.0085	0.2705	1
Echinococcus granulosus	muscleblind protein	0.015	0.5264	0.8694
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0787	0.3341
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0533	0.1592
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0787	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0913	0.1734
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0787	0.1496
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0886	0.1464
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0533	0.1592
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0085	0.2705	0.3134
Leishmania major	hypothetical protein, conserved	0.0036	0.0787	0.2576
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0787	0.13
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0533	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0122	0.0122
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0029	0.0533	0.1592
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0913	0.7399
Mycobacterium tuberculosis	Probable reductase	0.0193	0.6963	0.83
Plasmodium vivax	thioredoxin reductase, putative	0.0085	0.2705	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0787	0.3341
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0787	0.0807
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0787	0.0807
Toxoplasma gondii	ABC1 family protein	0.0036	0.0787	0.2576
Mycobacterium ulcerans	lipase LipD	0.0036	0.0787	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0787	0.1496
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0787	0.0807
Loa Loa (eye worm)	glutathione reductase	0.0085	0.2705	0.5139
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0029	0.0533	0.1592
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0085	0.2725	0.45
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0913	0.3971
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0215	0.7809	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0193	0.6963	0.8795
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.2114	0.4015
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0029	0.0533	0.5
Plasmodium falciparum	glutathione reductase	0.0029	0.0533	0.1592
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0787	0.0787
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0787	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0787	0.2576
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.1981	0.7197
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0886	0.1464
Schistosoma mansoni	hypothetical protein	0.017	0.6054	0.6054
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1183	0.1954
Brugia malayi	chromobox protein homolog 3	0.0039	0.0913	0.1734
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0787	0.0787
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0787	0.1496
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1981	0.7197
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0029	0.0533	0.6179
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0787	0.0807
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1183	0.1183
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0913	0.3971
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0787	0.0807
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0787	0.3341
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.1981	0.3272
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0718	0.1364
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0029	0.0533	0.1592
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0787	1
Plasmodium falciparum	glutathione reductase	0.0085	0.2705	1
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0466	0.1726
Trypanosoma brucei	trypanothione reductase	0.0085	0.2705	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1029	0.4555
Trichomonas vaginalis	chromobox protein, putative	0.007	0.2114	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0029	0.0533	0.0881
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0029	0.0533	0.0533
Mycobacterium tuberculosis	Probable dehydrogenase	0.0193	0.6963	0.83
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.1029	1
Schistosoma mansoni	chromobox protein	0.007	0.2114	0.2114
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0029	0.0533	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0718	0.1364
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0029	0.0533	0.1592
Schistosoma mansoni	chromobox protein	0.007	0.2114	0.2114
Onchocerca volvulus		0.0036	0.0787	0.459
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0787	0.1496
Loa Loa (eye worm)	hypothetical protein	0.005	0.1336	0.2539
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0787	0.2576
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1336	0.2539
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0022	0.0227	0.0432
Brugia malayi	Muscleblind-like protein	0.015	0.5264	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0533	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0787	0.1496
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0787	0.1496
Loa Loa (eye worm)	thioredoxin reductase	0.0085	0.2705	0.5139
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0533	1

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

ChEMBL: CHEMBL1199989

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 1161727