TDR Targets

Basic information

Technical information

TDR Targets ID: 1574561
Name: N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diaza spiro[4.6]undecan-3-yl)acetamide
MW: 371.473 | Formula: C21H29N3O3
H donors: 2 H acceptors: 3 LogP: 3.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1C(C)(C)C)CN1C(=O)NC2(C1=O)CCCCCC2
InChi: 1S/C21H29N3O3/c1-20(2,3)15-10-6-7-11-16(15)22-17(25)14-24-18(26)21(23-19(24)27)12-8-4-5-9-13-21/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,22,25)(H,23,27)
InChiKey: JBCLOKNAXFPEAS-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-(2-tert-butylphenyl)-2-(2,4-diketo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethanamide
T5393331
ZINC03592719

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	chromodomain helicase DNA binding protein, putative	0.0007	0.0037	1
Onchocerca volvulus		0.0425	0.4948	0.7706
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0094	0.1063	0.1593
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Schistosoma mansoni	cpg binding protein	0.0032	0.0333	0.0658
Schistosoma mansoni	nAChR subunit	0.0175	0.2011	0.4054
Loa Loa (eye worm)	acetylcholine receptor protein	0.0081	0.0904	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0425	0.4948	0.7796
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0175	0.2011	0.3128
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Onchocerca volvulus	Putative nachr subunit	0.0542	0.6328	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0094	0.1063	0.1593
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0081	0.0904	0.1815
Loa Loa (eye worm)	GABA receptor subunit	0.0094	0.1063	0.1591
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0067	0.0022
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0175	0.2011	0.4054
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0175	0.2011	0.3105
Entamoeba histolytica	hypothetical protein	0.0094	0.1063	0.5
Onchocerca volvulus		0.0081	0.0904	0.0984
Onchocerca volvulus		0.0051	0.0554	0.0402
Schistosoma mansoni	nAChR subunit	0.0175	0.2011	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Echinococcus granulosus	cpg binding protein	0.0032	0.0333	0.0458
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0175	0.2011	0.1974
Loa Loa (eye worm)	hypothetical protein	0.0249	0.2886	0.4502
Schistosoma mansoni	cpg binding protein	0.003	0.0312	0.0617
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0175	0.2011	0.3106
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0175	0.2011	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0175	0.2011	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0081	0.0904	0.1337
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0081	0.0904	0.0863
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0037	1
Brugia malayi	hypothetical protein	0.0081	0.0904	0.1339
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0081	0.0904	0.1337
Echinococcus multilocularis	nAChR subunit	0.0094	0.1063	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Brugia malayi	hypothetical protein	0.0249	0.2886	0.4503
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0094	0.1063	0.2136
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0094	0.1063	0.2136
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0081	0.0904	0.1339
Schistosoma mansoni	nAChR subunit	0.0081	0.0904	0.1815
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0175	0.2011	0.3128
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0175	0.2011	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Onchocerca volvulus		0.0175	0.2011	0.2823
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0175	0.2011	0.3106
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0175	0.2011	0.1974
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0094	0.1063	0.1593
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0175	0.2011	0.4054
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0081	0.0904	0.1339
Treponema pallidum	DNA-directed RNA polymerase subunit beta	0.0476	0.5556	0.5
Echinococcus granulosus	nAChR subunit	0.0175	0.2011	0.3128
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0542	0.6328	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0425	0.4948	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0175	0.2011	0.3106
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0554	0.1106
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0542	0.6328	0.6311
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.0711	0.1424
Brugia malayi	Cation transporter family protein	0.0175	0.2011	0.3106
Loa Loa (eye worm)	ACC-1 protein	0.0175	0.2011	0.3105
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0175	0.2011	0.1974
Schistosoma mansoni	nAChR subunit	0.0175	0.2011	0.4054
Echinococcus multilocularis	cpg binding protein	0.0032	0.0333	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Schistosoma mansoni	hypothetical protein	0.0051	0.0554	0.1106
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Chlamydia trachomatis	DNA-directed RNA polymerase subunit beta	0.0476	0.5556	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0045	0.0076
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0175	0.2011	0.3128
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0037	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0081	0.0904	0.1815
Onchocerca volvulus		0.0175	0.2011	0.2823
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0175	0.2011	0.3106
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0542	0.6328	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0081	0.0904	0.0863
Mycobacterium tuberculosis	DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit)	0.0476	0.5556	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0175	0.2011	0.1974
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0175	0.2011	0.4054
Wolbachia endosymbiont of Brugia malayi	DNA-directed RNA polymerase subunit beta/beta'	0.0476	0.5556	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0249	0.2886	0.4521
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0425	0.4948	0.7796
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0425	0.4948	1
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0175	0.2011	0.3128
Trichomonas vaginalis	helicase, putative	0.0007	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0081	0.0904	0.1339
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0081	0.0904	0.1367
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0175	0.2011	0.1974
Onchocerca volvulus		0.0094	0.1063	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Brugia malayi	excitatory GABA receptor EXP-1A	0.0175	0.2011	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Onchocerca volvulus		0.0081	0.0904	0.0984
Schistosoma mansoni	neurotransmitter gated ion channel	0.0081	0.0904	0.1815
Schistosoma mansoni	nAChR subunit	0.0175	0.2011	0.4054
Echinococcus multilocularis	glycine receptor subunit beta	0.0175	0.2011	0.1974
Echinococcus granulosus	nAChR subunit	0.0094	0.1063	0.162
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0554	0.078
Schistosoma mansoni	nAChR subunit	0.0175	0.2011	0.4054
Loa Loa (eye worm)	LGC-31 protein	0.0175	0.2011	0.3105
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0037	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.0631	0.5
Echinococcus granulosus	glycine receptor subunit beta	0.0175	0.2011	0.3128
Brugia malayi	hypothetical protein	0.0081	0.0904	0.1339
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0175	0.2011	0.1974
Onchocerca volvulus		0.0175	0.2011	0.2823
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0175	0.2011	0.3106
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0175	0.2011	0.3128
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0175	0.2011	0.3128
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0094	0.1063	0.1593
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0081	0.0904	0.1339
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0175	0.2011	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0542	0.6328	0.6311
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0542	0.6328	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0175	0.2011	0.3106
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0175	0.2011	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0175	0.2011	0.3128
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0175	0.2011	0.3106
Echinococcus multilocularis	nAChR subunit	0.0175	0.2011	0.1974
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0037	1
Onchocerca volvulus		0.0081	0.0904	0.0984
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0312	0.0392
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0542	0.6328	1
Schistosoma mansoni	nAChR subunit	0.0175	0.2011	0.4054
Echinococcus multilocularis	survival motor neuron protein 1	0.0249	0.2886	0.2853
Schistosoma mansoni	neurotransmitter gated ion channel	0.0094	0.1063	0.2136
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0081	0.0904	0.0863
Brugia malayi	hypothetical protein	0.0081	0.0904	0.1339
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0175	0.2011	0.3128
Onchocerca volvulus		0.0094	0.1063	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0081	0.0904	0.1339
Loa Loa (eye worm)	hypothetical protein	0.0344	0.4	0.6283
Brugia malayi	Cation transporter family protein	0.0425	0.4948	0.7796
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Brugia malayi	CXXC zinc finger family protein	0.003	0.0312	0.0395
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0542	0.6328	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0175	0.2011	0.3106
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0175	0.2011	0.3105
Echinococcus granulosus	glycine receptor subunit beta	0.0175	0.2011	0.3128
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0175	0.2011	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Mycobacterium ulcerans	DNA-directed RNA polymerase subunit beta	0.0476	0.5556	0.5
Schistosoma mansoni	acetylcholine receptor-related	0.0081	0.0904	0.1815
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1063	0.1591
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0175	0.2011	0.3106
Onchocerca volvulus		0.0425	0.4948	0.7706
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0175	0.2011	0.1974
Brugia malayi	hypothetical protein	0.0081	0.0904	0.1339
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0037	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0175	0.2011	0.3105
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0175	0.2011	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0904	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0542	0.6328	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0175	0.2011	0.3105
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0542	0.6328	0.6311
Onchocerca volvulus		0.0425	0.4948	0.7706
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2011	0.3105
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0175	0.2011	0.1974
Brugia malayi	Cation transporter family protein	0.0175	0.2011	0.3106
Mycobacterium leprae	DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT)	0.0476	0.5556	0.5
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0081	0.0904	0.1367
Plasmodium falciparum	DNA-directed RNA polymerase subunit beta, putative	0.0476	0.5556	0.5
Schistosoma mansoni	nAChR subunit	0.0175	0.2011	0.4054
Schistosoma mansoni	cpg binding protein	0.0032	0.0333	0.0658
Schistosoma mansoni	nAChR subunit	0.0081	0.0904	0.1815
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0081	0.0904	0.1339
Loa Loa (eye worm)	ACC-1 protein	0.0175	0.2011	0.3105
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0175	0.2011	0.3105
Brugia malayi	hypothetical protein	0.0081	0.0904	0.1339
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0037	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0067	0.0035

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0586 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1892636

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 1574561