TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.402 | Formula: C19H22N4O4
H donors: 4 H acceptors: 6 LogP: 1.37 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NCc1ccc(cc1)C)CCNC(=O)/C=C/c1c(C)nc(nc1O)O
InChi: 1S/C19H22N4O4/c1-12-3-5-14(6-4-12)11-21-17(25)9-10-20-16(24)8-7-15-13(2)22-19(27)23-18(15)26/h3-8H,9-11H2,1-2H3,(H,20,24)(H,21,25)(H2,22,23,26,27)/b8-7+
InChiKey: IDRULAUJBJPQSK-BQYQJAHWSA-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
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0054	0.0179	0.0257
Schistosoma mansoni	microtubule-associated protein tau	0.0697	0.69	0.9856
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0586	0.0842
Brugia malayi	hypothetical protein	0.0239	0.2114	0.3788
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0093	0.0586	0.0842
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0008	0.0011
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0315	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0321	0.2966	0.4263
Brugia malayi	Pre-SET motif family protein	0.0061	0.0256	0.0459
Echinococcus granulosus	glutamine synthetase	0.0524	0.5087	0.7312
Trypanosoma brucei	glutamine synthetase, putative	0.0524	0.5087	1
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.2062	0.3696
Brugia malayi	DNA-(Apurinic or apyrimidinic site) lyase	0.0077	0.0427	0.0766
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA4 (glutamine synthase) (GS-II)	0.047	0.4531	0.4527
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0022	0.0031
Schistosoma mansoni	glutamine synthetase 1 2 (glutamate-amonia ligase) (gs)	0.0524	0.5087	0.7266
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0093	0.0586	0.1139
Trichomonas vaginalis	glutamine synthetase-bacteria, putative	0.0237	0.2089	0.4455
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0061	0.0256	0.0368
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0259	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0179	0.0257
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.2062	0.2965
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0054	0.0179	0.0257
Brugia malayi	beta-lactamase family protein	0.0037	0.0008	0.0014
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0059	0.0233	0.0335
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0259	0.037
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0146	0.1147	0.1648
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0259	0.0252
Echinococcus multilocularis	glutamate receptor 2	0.0054	0.0179	0.0257
Onchocerca volvulus		0.0054	0.0179	0.0337
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0054	0.0179	0.0257
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0259	0.0495
Brugia malayi	Guanylyl cyclase protein 23	0.0054	0.0179	0.0321
Schistosoma mansoni	hypothetical protein	0.0175	0.145	0.2071
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0054	0.0179	0.0257
Echinococcus granulosus	histone lysine methyltransferase setb	0.0061	0.0256	0.0368
Mycobacterium ulcerans	glutamine synthetase GlnA1	0.0994	1	1
Onchocerca volvulus		0.0073	0.0377	0.0726
Schistosoma mansoni	metabotropic glutamate receptor	0.0278	0.2524	0.3605
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0259	0.0252
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II)	0.0994	1	1
Entamoeba histolytica	glutamine synthetase, putative	0.0237	0.2089	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0315	0.0605
Echinococcus granulosus	Ankyrin repeat domain containing protein	0.0091	0.0567	0.0815
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0008	0.0011
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0008	0.0011
Onchocerca volvulus	Glutamine synthetase homolog	0.0524	0.5087	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0427	0.0614
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0054	0.0179	0.0257
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0054	0.0179	0.0257
Loa Loa (eye worm)	glutamate receptor	0.0225	0.1964	0.2822
Plasmodium falciparum	glutamine synthetase, putative	0.0994	1	1
Schistosoma mansoni	protein kinase	0.0054	0.0179	0.0256
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.0315	0.0712
Trypanosoma cruzi	extracellular receptor, putative	0.0054	0.0179	0.0337
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0128	0.0229
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.0256	0.0366
Wolbachia endosymbiont of Brugia malayi	glutamine synthetase	0.0707	0.7001	0.5
Onchocerca volvulus		0.0049	0.0128	0.0236
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.0256	0.0366
Schistosoma mansoni	jumonji domain containing protein	0.0079	0.0439	0.0626
Schistosoma mansoni	glutamate receptor NMDA	0.0054	0.0179	0.0256
Echinococcus granulosus	receptor type guanylyl cyclase	0.0054	0.0179	0.0257
Brugia malayi	hypothetical protein	0.0102	0.0687	0.1232
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0315	0.0453
Mycobacterium ulcerans	endonuclease IV	0.0077	0.0427	0.042
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0259	0.0252
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0054	0.0179	0.0257
Echinococcus granulosus	survival motor neuron protein 1	0.0239	0.2114	0.3038
Brugia malayi	Receptor family ligand binding region containing protein	0.0054	0.0179	0.0321
Onchocerca volvulus		0.0102	0.0687	0.1338
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0061	0.0256	0.0368
Onchocerca volvulus		0.0054	0.0179	0.0337
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0649	0.6397	0.9136
Trypanosoma cruzi	glutamine synthetase, putative	0.0524	0.5087	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0008	0.0014
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0478	0.4612	0.6629
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0008	0.0011
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0315	0.0565
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0703	0.6957	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0259	0.037
Echinococcus granulosus	glutamate receptor 2	0.0054	0.0179	0.0257
Mycobacterium tuberculosis	Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase)	0.0077	0.0427	0.042
Echinococcus multilocularis	glutamine synthetase	0.0524	0.5087	0.7312
Schistosoma mansoni	glutamine synthetase bacteria	0.0707	0.7001	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1147	0.1648
Schistosoma mansoni	hypothetical protein	0.0049	0.0128	0.0182
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0259	0.0252
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0057	0.0082
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0057	0.0082
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0703	0.6957	1
Brugia malayi	hypothetical protein	0.0123	0.0903	0.1618
Echinococcus granulosus	tyrosine kinase	0.0054	0.0179	0.0257
Schistosoma mansoni	hypothetical protein	0.0175	0.145	0.2071
Brugia malayi	metabotropic glutamate receptor type 2	0.0278	0.2524	0.4524
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0054	0.0179	0.0257
Mycobacterium ulcerans	glutamine synthetase	0.0994	1	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0687	0.0988
Plasmodium vivax	SET domain protein, putative	0.0061	0.0256	0.0249
Onchocerca volvulus		0.0102	0.0687	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0008	0.0011
Brugia malayi	beta-lactamase family protein	0.0037	0.0008	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0008	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0239	0.2114	0.3038
Echinococcus granulosus	nmda type glutamate receptor	0.0054	0.0179	0.0257
Leishmania major	extracellular receptor, putative	0.0054	0.0179	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0703	0.6957	1
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0054	0.0179	0.0257
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0259	0.0373
Brugia malayi	jmjC domain containing protein	0.0099	0.0651	0.1166
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0517	0.5019	0.8995
Mycobacterium leprae	PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE)	0.0077	0.0427	0.042
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.2105	0.2099
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0315	0.0605
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0269	0.0387
Mycobacterium leprae	GLUTAMINE SYNTHETASE GLNA1 (GLUTAMINE SYNTHASE) (Glutamate--ammonia ligase 1) (GS-I)	0.047	0.4531	0.4527
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0093	0.0586	0.105
Mycobacterium tuberculosis	Conserved hypothetical protein	0.047	0.4531	0.4527
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0008	0.0011
Onchocerca volvulus	Poor gastrulation protein homolog	0.0093	0.0586	0.1139
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0146	0.1147	0.1648
Echinococcus granulosus	geminin	0.0175	0.145	0.2084
Echinococcus granulosus	microtubule associated protein 2	0.0697	0.69	0.9918
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0651	0.0935
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0315	0.0453
Echinococcus multilocularis	microtubule associated protein 2	0.0697	0.69	0.9918
Brugia malayi	Pre-SET motif family protein	0.0426	0.4064	0.7284
Echinococcus multilocularis	nmda type glutamate receptor	0.0054	0.0179	0.0257
Entamoeba histolytica	glutamine synthetase, putative	0.0237	0.2089	1
Brugia malayi	beta-lactamase	0.0037	0.0008	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0008	0.0011
Chlamydia trachomatis	endonuclease IV	0.0077	0.0427	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0687	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0179	0.0257
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0315	0.045
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0179	0.0257
Brugia malayi	M-phase phosphoprotein, mpp8	0.0102	0.0687	0.1232
Onchocerca volvulus		0.0485	0.4678	0.9195
Echinococcus granulosus	glutamate receptor 2	0.0054	0.0179	0.0257
Loa Loa (eye worm)	Gln-2 protein	0.0524	0.5087	0.7312
Schistosoma mansoni	hypothetical protein	0.0093	0.0586	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0159	0.0228
Mycobacterium ulcerans	hypothetical protein	0.0237	0.2089	0.2082
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0054	0.0179	0.0257
Brugia malayi	hypothetical protein	0.0054	0.0179	0.0321
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0478	0.4612	0.6629
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I)	0.0707	0.7001	0.6999
Echinococcus multilocularis	tyrosine kinase	0.0054	0.0179	0.0257
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0259	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0179	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0256	0.0368
Plasmodium vivax	apurinic/apyrimidinic endonuclease Apn1, putative	0.0077	0.0427	0.042
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0651	0.0935
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.0256	0.0366
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0054	0.0179	0.0321
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0426	0.4064	0.5842
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0179	0.0257
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0073	0.0377	0.0538
Schistosoma mansoni	tyrosine kinase	0.0054	0.0179	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0008	0.0011
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0315	0.0605
Echinococcus multilocularis	survival motor neuron protein 1	0.0239	0.2114	0.3038
Loa Loa (eye worm)	glutamate receptor	0.0571	0.558	0.802
Schistosoma mansoni	glutamine synthetase bacteria	0.0707	0.7001	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0179	0.0257
Plasmodium vivax	glutamine synthetase, putative	0.0994	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0179	0.0257
Trichomonas vaginalis	glutamine synthetase, putative	0.0237	0.2089	0.4455
Trichomonas vaginalis	set domain proteins, putative	0.0485	0.4678	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0008	0.0011
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0054	0.0179	0.0257
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0054	0.0179	0.0257
Echinococcus multilocularis	geminin	0.0175	0.145	0.2084
Leishmania major	glutamine synthetase, putative	0.0524	0.5087	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0008	0.0011
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0008	0.0011
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0571	0.558	1
Echinococcus multilocularis	Ankyrin repeat domain containing protein	0.0091	0.0567	0.0815
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0022	0.0031
Brugia malayi	Receptor family ligand binding region containing protein	0.0146	0.1147	0.2055
Echinococcus granulosus	GPCR family 3 C terminal	0.0093	0.0586	0.0842
Schistosoma mansoni	tyrosine kinase	0.0054	0.0179	0.0256
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0091	0.0567	0.081
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0061	0.0256	0.0249
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0054	0.0179	0.0337
Mycobacterium tuberculosis	Glutamine synthetase GlnA1 (glutamine synthase) (GS-I)	0.047	0.4531	0.4527
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0315	0.0453
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0054	0.0179	0.0257
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0054	0.0179	0.0257
Trypanosoma cruzi	glutamine synthetase, putative	0.0524	0.5087	1
Toxoplasma gondii	endonuclease IV APN	0.0077	0.0427	0.042
Schistosoma mansoni	metabotropic glutamate receptor	0.0478	0.4612	0.6588
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0091	0.0567	0.081
Echinococcus multilocularis	glutamate receptor 2	0.0054	0.0179	0.0257
Mycobacterium ulcerans	hypothetical protein	0.047	0.4531	0.4527
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0128	0.0182
Toxoplasma gondii	glutamine synthetase, type I, putative	0.0994	1	1
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0054	0.0179	0.0257

Activities

Activity type	Assay description	Source	Reference
Inhibition (functional)	Percent inhibition of [75Se]- selenomethionine incorporation in the protein synthesis assay in P388 cell lines; No data due to insoluble compound	ChEMBL.	6415284
Inhibition (functional)	Percent inhibition of [75Se]- selenomethionine incorporation in the protein synthesis assay in P815 cell lines at a concentration of 10 E-3 M; No data due to insoluble compound	ChEMBL.	6415284
Inhibition (functional)	Percent inhibition of [75Se]- selenomethionine incorporation in the protein synthesis assay in bone marrow cell lines at a concentration of 10 E-3; No data due to insoluble compound	ChEMBL.	6415284

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 57406