TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 337.372 | Formula: C19H19N3O3
H donors: 1 H acceptors: 2 LogP: 3.11 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)C=Nc1c(=O)n(n(c1C)C)c1ccccc1)O
InChi: 1S/C19H19N3O3/c1-13-18(20-12-14-11-16(25-3)9-10-17(14)23)19(24)22(21(13)2)15-7-5-4-6-8-15/h4-12,23H,1-3H3/b20-12+
InChiKey: BHIRGSIQQKJWJG-UDWIEESQSA-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
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0149	0.8762	0.8637
Entamoeba histolytica	hypothetical protein	0.0073	0.3889	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.2013	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0921	0.1042
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.088	1
Echinococcus granulosus	lamin	0.0027	0.0921	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0026	0.088	0.0996
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0123	0.0139
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.088	1
Echinococcus granulosus	lamin dm0	0.0027	0.0921	0.0892
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.3418	0.3397
Echinococcus multilocularis	lamin	0.0027	0.0921	0.0892
Brugia malayi	hypothetical protein	0.0073	0.3889	0.4325
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.3418	0.3784
Brugia malayi	hypothetical protein	0.015	0.8831	1
Brugia malayi	TAR-binding protein	0.0066	0.3418	0.3784
Loa Loa (eye worm)	acetyltransferase	0.0149	0.8762	0.9922
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.3889	0.3269
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.3418	0.387
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3418	0.275
Brugia malayi	Cytochrome P450 family protein	0.002	0.048	0.0411
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.3889	0.387
Echinococcus multilocularis	geminin	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0031	0.0036
Schistosoma mansoni	thyroid hormone receptor	0.0141	0.8253	0.8076
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.2013	0.1988
Brugia malayi	Cytochrome P450 family protein	0.0031	0.1161	0.1192
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3418	0.275
Brugia malayi	RNA binding protein	0.0066	0.3418	0.3784
Entamoeba histolytica	hypothetical protein	0.0073	0.3889	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0141	0.8253	0.8247
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.048	0.0544
Echinococcus multilocularis	lamin dm0	0.0027	0.0921	0.0892
Echinococcus multilocularis	musashi	0.0027	0.0921	0.0892
Loa Loa (eye worm)	RNA binding protein	0.0066	0.3418	0.387
Echinococcus granulosus	muscleblind protein	0.0148	0.8721	0.8717
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0145	0.8494	0.8489
Schistosoma mansoni	hypothetical protein	0.0073	0.3889	0.3269
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.048	0.0544
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0131	0.758	0.7573
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.681	0.7711
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.1779	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0889	0.1007
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0149	0.8762	0.8758
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0131	0.758	0.7573
Echinococcus multilocularis	muscleblind protein 1	0.0148	0.8721	0.8717
Entamoeba histolytica	hypothetical protein	0.0073	0.3889	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.1161	0.1315
Schistosoma mansoni	hypothetical protein	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.8721	0.9875
Loa Loa (eye worm)	hypothetical protein	0.015	0.8831	1
Leishmania major	hypothetical protein, conserved	0.0026	0.088	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.2013	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.2013	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.2013	0.5
Brugia malayi	hypothetical protein	0.0017	0.0285	0.0186
Schistosoma mansoni	hypothetical protein	0.0131	0.758	0.7335
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.3418	0.387
Loa Loa (eye worm)	hypothetical protein	0.0148	0.8721	0.9875
Brugia malayi	Muscleblind-like protein	0.0148	0.8721	0.9873
Brugia malayi	intermediate filament protein	0.0027	0.0921	0.0916
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3418	0.275
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.1779	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.088	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.0921	0.0892
Brugia malayi	acetyltransferase, GNAT family protein	0.0149	0.8762	0.9921
Schistosoma mansoni	hypothetical protein	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0921	0.1042
Brugia malayi	hypothetical protein	0.0026	0.088	0.0869
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.3889	0.387
Echinococcus granulosus	tar DNA binding protein	0.0066	0.3418	0.3397
Echinococcus multilocularis	muscleblind protein	0.0148	0.8721	0.8717
Schistosoma mansoni	thyroid hormone receptor	0.0141	0.8253	0.8076
Onchocerca volvulus		0.015	0.8831	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3418	0.275
Loa Loa (eye worm)	CYP4Cod1	0.002	0.048	0.0544
Brugia malayi	MH2 domain containing protein	0.0119	0.681	0.7679
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.681	0.7711
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.2013	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0921	0.0916
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.002	0.048	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0921	0.1042
Brugia malayi	Cytochrome P450 family protein	0.002	0.048	0.0411
Entamoeba histolytica	hypothetical protein	0.0073	0.3889	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.3418	0.275

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 655248