TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 200.235 | Formula: C9H16N2O3
H donors: 3 H acceptors: 3 LogP: 0.32 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H]1NC(=O)[C@@H](NC1=O)CC(C)C
InChi: 1S/C9H16N2O3/c1-5(2)3-6-8(13)11-7(4-12)9(14)10-6/h5-7,12H,3-4H2,1-2H3,(H,10,14)(H,11,13)/t6-,7-/m0/s1
InChiKey: ANLAGVXTPHOKLD-BQBZGAKWSA-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

No synonyms found for this compound

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
Entamoeba histolytica	hypothetical protein	0.0903	0.6519	0.4682
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0008	0.0029	0.0029
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0008	0.0029	0.0029
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0004	0.0003	0.0003
Trichomonas vaginalis	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.1383	1	1
Trichomonas vaginalis	set domain proteins, putative	0.018	0.1278	0.1269
Schistosoma mansoni	coup transcription factor	0.0008	0.0029	0.0029
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0008	0.0029	0.0029
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0008	0.0029	0.0029
Brugia malayi	hypothetical protein	0.0019	0.0112	0.0112
Loa Loa (eye worm)	MH1 domain-containing protein	0.0006	0.0018	0.0018
Schistosoma mansoni	retinoic acid receptor RXR	0.0008	0.0029	0.0029
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0008	0.0029	0.0229
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0008	0.0029	0.0029
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0008	0.0029	0.0029
Mycobacterium tuberculosis	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)	0.048	0.3455	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0009	0.0036	0.0036
Schistosoma mansoni	hypothetical protein	0.0037	0.0239	0.0239
Schistosoma mansoni	smad1 5 8 and	0.0006	0.0018	0.0018
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0023	0.0141	0.0141
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0008	0.0029	0.0029
Loa Loa (eye worm)	dUTP diphosphatase	0.1383	1	1
Onchocerca volvulus		0.018	0.1278	1
Brugia malayi	nuclear hormone receptor	0.0008	0.0029	0.0029
Trypanosoma cruzi	PAB1-binding protein , putative	0.0019	0.0112	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0006	0.0018	0.0018
Brugia malayi	MH2 domain containing protein	0.009	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1272	0.1272
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0012	0.0061	0.0061
Brugia malayi	Nuclear hormone receptor-like 1	0.0004	0.0003	0.0003
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1383	1	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0042	0.0279	0.0219
Echinococcus granulosus	smad	0.0006	0.0018	0.0018
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0008	0.0029	0.0029
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0008	0.0029	0.0029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0008	0.0029	0.0029
Brugia malayi	nuclear receptor RXR	0.0004	0.0003	0.0003
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0022	0.0132	0.0132
Onchocerca volvulus		0.0022	0.0131	0.1029
Plasmodium falciparum	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.1383	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0006	0.0019	0.0019
Trypanosoma cruzi	PAB1-binding protein , putative	0.0019	0.0112	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0008	0.0029	0.0029
Schistosoma mansoni	survival motor neuron protein	0.0037	0.0239	0.0239
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0008	0.0029	0.0029
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0002	0.0002
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0047	0.0314	0.0314
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0023	0.0141	0.0141
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0006	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0128	0.0904	0.0904
Entamoeba histolytica	hypothetical protein	0.1383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0141	0.0141
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1383	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0008	0.0029	0.0029
Echinococcus granulosus	histone lysine methyltransferase setb	0.0023	0.0141	0.0141
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0008	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Entamoeba histolytica	hypothetical protein	0.1383	1	1
Toxoplasma gondii	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.1383	1	1
Brugia malayi	MH1 domain containing protein	0.0006	0.0018	0.0018
Brugia malayi	photoreceptor-specific nuclear receptor	0.0008	0.0029	0.0029
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0008	0.0029	0.0029
Brugia malayi	isocitrate dehydrogenase	0.0012	0.0061	0.0061
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0008	0.0029	0.0029
Plasmodium vivax	SET domain protein, putative	0.0023	0.0141	0.0081
Brugia malayi	steroid hormone receptor	0.0008	0.0029	0.0029
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0008	0.0029	0.0029
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0006	0.0018	0.0018
Brugia malayi	Nuclear hormone receptor-like 1	0.0008	0.0029	0.0029
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0008	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0008	0.0029	0.0029
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0008	0.0029	0.0029
Brugia malayi	Smad1	0.0006	0.0018	0.0018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0008	0.0029	0.0029
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0012	0.0061	0.0061
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0012	0.0061	0.0061
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0022	0.0131	0.0131
Echinococcus multilocularis	dUTP pyrophosphatase	0.1383	1	1
Onchocerca volvulus	Huntingtin homolog	0.0093	0.0646	0.5059
Echinococcus multilocularis	geminin	0.0128	0.0904	0.0904
Echinococcus multilocularis	Smad4	0.0006	0.0018	0.0018
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0008	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0112	0.0112
Brugia malayi	CXXC zinc finger family protein	0.0022	0.0131	0.0131
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0012	0.0061	0.0061
Brugia malayi	MH2 domain containing protein	0.0006	0.0018	0.0018
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0004	0.0003	0.0003
Brugia malayi	Steroid receptor seven-up type 2	0.0008	0.0029	0.0029
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0614	0.4425	0.4425
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1383	1	1
Brugia malayi	MH2 domain containing protein	0.0006	0.0018	0.0018
Plasmodium falciparum	ataxin-2 like protein, putative	0.0019	0.0112	0.0052
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0023	0.0141	0.0141
Echinococcus multilocularis	survival motor neuron protein 1	0.0179	0.1272	0.1272
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0008	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0003	0.0003
Brugia malayi	hypothetical protein	0.0179	0.1272	0.1272
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0008	0.0029	0.0029
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.1383	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0008	0.0029	0.0029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0008	0.0029	0.0029
Loa Loa (eye worm)	MH2 domain-containing protein	0.009	0.0629	0.0629
Schistosoma mansoni	hypothetical protein	0.0128	0.0904	0.0904
Onchocerca volvulus	Huntingtin homolog	0.0093	0.0646	0.5059
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0008	0.0029	0.0029
Echinococcus multilocularis	isocitrate dehydrogenase	0.0012	0.0061	0.0061
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0008	0.0029	0.0029
Brugia malayi	Pre-SET motif family protein	0.0158	0.112	0.112
Brugia malayi	hypothetical protein	0.0012	0.0063	0.0063
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0023	0.0141	0.0141
Schistosoma mansoni	smad	0.0006	0.0018	0.0018
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0004	0.0003	0.0003
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0037	0.0239	0.0239
Echinococcus granulosus	FTZ F1 alpha	0.0008	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0006	0.0019	0.0019
Loa Loa (eye worm)	Smad1	0.0006	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Brugia malayi	ecdysteroid receptor	0.0008	0.0029	0.0029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0008	0.0029	0.0029
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0008	0.0029	0.0029
Loa Loa (eye worm)	histone methyltransferase	0.0008	0.0029	0.0029
Echinococcus multilocularis	FTZ F1 alpha	0.0008	0.0029	0.0029
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0012	0.0061	0.0061
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.1383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0009	0.0036	0.0036
Brugia malayi	hypothetical protein	0.0004	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor-like 1	0.0004	0.0003	0.0003
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0008	0.0029	0.0029
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0008	0.0029	0.0029
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0006	0.0018	0.0018
Onchocerca volvulus	Bile acid receptor homolog	0.0008	0.0029	0.0229
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0008	0.0029	0.0029
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0012	0.0061	0.0061
Brugia malayi	nuclear receptor NHR-88	0.0008	0.0029	0.0029
Echinococcus granulosus	survival motor neuron protein 1	0.0179	0.1272	0.1272
Schistosoma mansoni	nuclear hormone receptor	0.0008	0.0029	0.0029
Schistosoma mansoni	cpg binding protein	0.0022	0.0131	0.0131
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0012	0.0061	0.0061
Schistosoma mansoni	hypothetical protein	0.0009	0.0036	0.0036
Mycobacterium leprae	PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE)	0.048	0.3455	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0019	0.0112	0.0052
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0008	0.0029	0.0029
Schistosoma mansoni	Smad4	0.0006	0.0018	0.0018
Plasmodium vivax	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.1383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0003	0.0003
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0004	0.0003	0.0003
Brugia malayi	F/Y-rich N-terminus family protein	0.0007	0.0028	0.0028
Trypanosoma brucei	PAB1-binding protein , putative	0.0019	0.0112	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0646	0.0646
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0004	0.0003	0.0003
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0023	0.0141	0.0141
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0158	0.112	0.112
Wolbachia endosymbiont of Brugia malayi	dUTPase	0.1383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0003	0.0003
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0008	0.0029	0.0029
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0008	0.0029	0.0029
Onchocerca volvulus		0.0037	0.0239	0.1868
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0029	0.0029
Schistosoma mansoni	cpg binding protein	0.0023	0.014	0.014
Treponema pallidum	deoxyuridine 5'-triphosphate nucleotidohydrolase (dut)	0.1383	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0003	0.0003
Brugia malayi	hypothetical protein	0.0004	0.0003	0.0003
Leishmania major	hypothetical protein, conserved	0.0019	0.0112	1
Mycobacterium ulcerans	deoxycytidine triphosphate deaminase	0.048	0.3455	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0006	0.0018	0.0018
Schistosoma mansoni	thyroid hormone receptor	0.0008	0.0029	0.0029
Loa Loa (eye worm)	transcription factor SMAD2	0.009	0.0629	0.0629
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0008	0.0029	0.0029
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0008	0.0029	0.0029
Echinococcus granulosus	cpg binding protein	0.0023	0.014	0.014
Brugia malayi	MH1 domain containing protein	0.0006	0.0018	0.0018
Schistosoma mansoni	smad1 5 8 and	0.0006	0.0018	0.0018
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0008	0.0029	0.0029
Mycobacterium ulcerans	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.048	0.3455	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0008	0.0029	0.0029
Onchocerca volvulus		0.0023	0.0141	0.1105
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Schistosoma mansoni	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.1383	1	1
Echinococcus granulosus	geminin	0.0128	0.0904	0.0904
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0006	0.0019	0.0019
Echinococcus granulosus	Smad4	0.0006	0.0018	0.0018
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0023	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0023	0.0141	0.0081
Echinococcus multilocularis	cpg binding protein	0.0023	0.014	0.014
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0008	0.0029	0.0029
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0008	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0003	0.0003
Echinococcus multilocularis	smad	0.0006	0.0018	0.0018
Brugia malayi	Isocitrate dehydrogenase	0.0012	0.0061	0.0061
Schistosoma mansoni	thyroid hormone receptor	0.0008	0.0029	0.0029
Toxoplasma gondii	LsmAD domain-containing protein	0.0019	0.0112	0.0052
Chlamydia trachomatis	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.1383	1	1
Schistosoma mansoni	smad1 5 8 and	0.0006	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0029	0.0029
Echinococcus multilocularis	ecdysone induced protein 78C	0.0008	0.0029	0.0029
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1383	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0029	0.0029
Schistosoma mansoni	cpg binding protein	0.0023	0.014	0.014
Echinococcus granulosus	dUTP pyrophosphatase	0.1383	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0008	0.0029	0.0029
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0006	0.0018	0.0018
Onchocerca volvulus		0.0008	0.0029	0.0229
Schistosoma mansoni	RAR-like nuclear receptor	0.0008	0.0029	0.0029
Echinococcus granulosus	mothers against decapentaplegic 5	0.0006	0.0018	0.0018
Entamoeba histolytica	hypothetical protein	0.0903	0.6519	0.4682
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0646	0.0646
Onchocerca volvulus	Protein ultraspiracle homolog	0.0008	0.0029	0.0229
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0006	0.0019	0.0019
Plasmodium falciparum	ataxin-2 like protein, putative	0.0019	0.0112	0.0052
Brugia malayi	Pre-SET motif family protein	0.0023	0.0141	0.0141
Brugia malayi	hypothetical protein	0.0093	0.0646	0.0646

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: CHEMBL1957405

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 1603791