TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.415 | Formula: C20H23N3O3
H donors: 1 H acceptors: 3 LogP: 1.32 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=O)c1cc2C(=O)CCCc2[nH]c1=O)Cc1ccc(cc1)N(C)C
InChi: 1S/C20H23N3O3/c1-22(2)14-9-7-13(8-10-14)12-23(3)20(26)16-11-15-17(21-19(16)25)5-4-6-18(15)24/h7-11H,4-6,12H2,1-3H3,(H,21,25)
InChiKey: XAMQIMCHFIGQDJ-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

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
Mycobacterium ulcerans	membrane-associated oxidoreductase	0.0007	0.0025	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0019	0.1468	0.1468
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0061	0.654	0.654
Mycobacterium tuberculosis	Possible oxidoreductase	0.0007	0.0025	0.5
Toxoplasma gondii	FAD binding domain-containing protein	0.0007	0.0025	0.5
Echinococcus granulosus	ubiquinone biosynthesis monooxygenase COQ6	0.0007	0.0025	0.0025
Echinococcus granulosus	GPCR family 3 C terminal	0.0012	0.0601	0.0601
Echinococcus granulosus	protein MICAL 3	0.0007	0.0025	0.0025
Echinococcus multilocularis	tar DNA binding protein	0.0019	0.1468	0.1468
Schistosoma mansoni	hypothetical protein	0.0007	0.0025	0.0027
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0012	0.0601	1
Plasmodium vivax	hypothetical protein, conserved	0.0007	0.0025	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0007	0.0025	1
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0019	0.1427	0.1427
Entamoeba histolytica	hypothetical protein	0.0059	0.6334	1
Loa Loa (eye worm)	glutamate receptor	0.0073	0.7968	0.7968
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0012	0.0601	0.0754
Loa Loa (eye worm)	RNA binding protein	0.0019	0.1468	0.1468
Trypanosoma cruzi	Monooxygenase, putative	0.0007	0.0025	1
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0012	0.0601	0.0601
Mycobacterium ulcerans	hypothetical protein	0.0007	0.0025	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0007	0.0025	0.5
Brugia malayi	RNA binding protein	0.0019	0.1468	0.1843
Schistosoma mansoni	metabotropic glutamate receptor	0.0035	0.346	0.3772
Leishmania major	hypothetical protein, conserved	0.0007	0.0025	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.009	1	1
Mycobacterium ulcerans	oxidoreductase GMC-type	0.0007	0.0025	0.5
Brugia malayi	metabotropic glutamate receptor type 2	0.0035	0.346	0.4342
Schistosoma mansoni	tar DNA-binding protein	0.0019	0.1468	0.1601
Schistosoma mansoni	hypothetical protein	0.0012	0.0601	0.0655
Mycobacterium ulcerans	hypothetical protein	0.0007	0.0025	0.5
Schistosoma mansoni	hypothetical protein	0.0059	0.6334	0.6905
Echinococcus multilocularis	protein MICAL 3	0.0007	0.0025	0.0025
Chlamydia trachomatis	monooxygenase	0.0007	0.0025	0.5
Mycobacterium ulcerans	FAD-linked oxidoreductase	0.0007	0.0025	0.5
Brugia malayi	TAR-binding protein	0.0019	0.1468	0.1843
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0059	0.6334	0.6334
Echinococcus granulosus	tar DNA binding protein	0.0019	0.1468	0.1468
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0059	0.6334	0.6334
Loa Loa (eye worm)	glutamate receptor	0.0029	0.2633	0.2633
Wolbachia endosymbiont of Brugia malayi	2-polyprenyl-6-methoxyphenol 4-hydroxylase	0.0007	0.0025	0.5
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0061	0.654	0.654
Brugia malayi	Receptor family ligand binding region containing protein	0.0019	0.1427	0.1792
Trypanosoma brucei	kynurenine 3-monooxygenase, putative	0.0007	0.0025	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1427	0.1427
Mycobacterium ulcerans	oxidoreductase	0.0007	0.0025	0.5
Echinococcus multilocularis	ubiquinone biosynthesis monooxygenase COQ6	0.0007	0.0025	0.0025
Toxoplasma gondii	FAD binding domain-containing protein	0.0007	0.0025	0.5
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0066	0.7141	0.8962
Mycobacterium ulcerans	oxidoreductase	0.0007	0.0025	0.5
Entamoeba histolytica	hypothetical protein	0.0059	0.6334	1
Loa Loa (eye worm)	hypothetical protein	0.009	1	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0007	0.0025	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0059	0.6334	0.6905
Entamoeba histolytica	hypothetical protein	0.0059	0.6334	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0601	0.0601
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0019	0.1427	0.1427
Mycobacterium leprae	possibleputative FAD-linked oxidoreductase	0.0007	0.0025	0.5
Schistosoma mansoni	monoxygenase	0.0007	0.0025	0.0027
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0083	0.9173	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0061	0.654	0.713
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0025	0.0025
Plasmodium vivax	FAD-dependent monooxygenase, putative	0.0007	0.0025	0.5
Trypanosoma brucei	Monooxygenase, putative	0.0007	0.0025	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0019	0.1468	0.1601
Mycobacterium tuberculosis	Probable oxidoreductase	0.0007	0.0025	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0019	0.1468	0.1601
Schistosoma mansoni	tar DNA-binding protein	0.0019	0.1468	0.1601
Mycobacterium ulcerans	hypothetical protein	0.0007	0.0025	0.5
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0073	0.7968	1
Brugia malayi	hypothetical protein	0.0059	0.6334	0.7949
Schistosoma mansoni	tar DNA-binding protein	0.0019	0.1468	0.1601
Brugia malayi	RNA recognition motif domain containing protein	0.0019	0.1468	0.1843
Onchocerca volvulus	Poor gastrulation protein homolog	0.0012	0.0601	1
Entamoeba histolytica	hypothetical protein	0.0059	0.6334	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0019	0.1468	0.1468
Leishmania major	hypothetical protein, conserved	0.0007	0.0025	1
Mycobacterium ulcerans	FAD-dependent oxidoreductase	0.0007	0.0025	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0007	0.0025	0.5
Plasmodium falciparum	FAD-dependent monooxygenase, putative	0.0007	0.0025	0.5

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: CHEMBL3488669

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2070575