TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.321 | Formula: C17H16N2O3
H donors: 3 H acceptors: 3 LogP: 3.56 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C(=O)C=CNNC(=O)c1ccc(cc1)O
InChi: 1S/C17H16N2O3/c1-12-2-4-13(5-3-12)16(21)10-11-18-19-17(22)14-6-8-15(20)9-7-14/h2-11,18,20H,1H3,(H,19,22)
InChiKey: YFQHGOJAWALGLN-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
Echinococcus multilocularis	epidermal growth factor receptor	0.0602	0.5508	0.5508
Echinococcus multilocularis	insulin receptor	0.0192	0.1322	0.1322
Loa Loa (eye worm)	hypothetical protein	0.0349	0.2922	0.4541
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0014	0.0014
Mycobacterium leprae	PROBABLE HYDROLASE	0.0349	0.2922	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.0192	0.1322	0.2054
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0014	0.0025
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0014	0.0025
Plasmodium vivax	hypothetical protein, conserved	0.0063	0	0.5
Brugia malayi	hypothetical protein	0.0074	0.0114	0.0178
Onchocerca volvulus	Matrilysin homolog	0.0286	0.2284	0.3904
Brugia malayi	Matrixin family protein	0.0286	0.2284	0.3549
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0349	0.2922	0.4541
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0323	0.2661	0.2661
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0349	0.2922	0.372
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0063	0	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.0114	0.0114
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.1041	1	1
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2284	0.3549
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0063	0	0.5
Loa Loa (eye worm)	matrixin family protein	0.0692	0.6435	1
Brugia malayi	TAR-binding protein	0.0064	0.0014	0.0022
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0014	0.0022
Onchocerca volvulus		0.0286	0.2284	0.3904
Entamoeba histolytica	hypothetical protein	0.0074	0.0114	0.5
Brugia malayi	RNA binding protein	0.0064	0.0014	0.0022
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0602	0.5508	0.856
Schistosoma mansoni	tyrosine kinase	0.0323	0.2661	0.4832
Echinococcus granulosus	epidermal growth factor receptor	0.0602	0.5508	0.5508
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2284	0.3549
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0063	0	0.5
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0014	0.0022
Entamoeba histolytica	hypothetical protein	0.0074	0.0114	0.5
Brugia malayi	Matrixin family protein	0.0286	0.2284	0.3549
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0063	0	0.5
Brugia malayi	Furin-like cysteine rich region family protein	0.0602	0.5508	0.856
Schistosoma mansoni	tyrosine kinase	0.032	0.2627	0.4769
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0063	0	0.5
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0063	0	0.5
Schistosoma mansoni	hypothetical protein	0.0074	0.0114	0.0208
Plasmodium falciparum	protoporphyrinogen oxidase	0.0063	0	0.5
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0192	0.1322	0.1322
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0014	0.0025
Loa Loa (eye worm)	matrix metalloproteinase	0.0286	0.2284	0.3549
Brugia malayi	Matrixin family protein	0.0692	0.6435	1
Echinococcus granulosus	insulin receptor	0.0192	0.1322	0.1322
Brugia malayi	Matrixin family protein	0.0286	0.2284	0.3549
Schistosoma mansoni	tyrosine kinase	0.0323	0.2661	0.4832
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2284	0.3549
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0894	0.8498	1
Leishmania major	UDP-galactopyranose mutase	0.0063	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0192	0.1322	0.2054
Entamoeba histolytica	hypothetical protein	0.0074	0.0114	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0014	0.0022
Toxoplasma gondii	histone lysine-specific demethylase	0.0063	0	0.5
Schistosoma mansoni	tyrosine kinase	0.032	0.2627	0.4769
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0014	0.0022
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0894	0.8498	1
Onchocerca volvulus	Matrilysin homolog	0.0635	0.5849	1
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.0114	0.0208
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0014	0.0025
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0831	0.7854	1
Brugia malayi	Hemopexin family protein	0.0406	0.3507	0.545
Schistosoma mansoni	tyrosine kinase	0.032	0.2627	0.4769
Loa Loa (eye worm)	matrixin family protein	0.0635	0.5849	0.909
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0418	0.3635	0.6599
Schistosoma mansoni	tyrosine kinase	0.0192	0.1322	0.24
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.0114	0.0114
Onchocerca volvulus		0.0406	0.3507	0.5996
Echinococcus multilocularis		0.0186	0.126	0.126
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0635	0.5849	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0323	0.2661	0.2661
Schistosoma mansoni	tyrosine kinase	0.0192	0.1322	0.24
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0014	0.0014
Entamoeba histolytica	hypothetical protein	0.0074	0.0114	0.5
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0063	0	0.5
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0286	0.2284	0.4146
Plasmodium vivax	hypothetical protein, conserved	0.0063	0	0.5
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0192	0.1322	0.1322
Mycobacterium ulcerans	hydrolase	0.0349	0.2922	0.3438
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0014	0.0025
Brugia malayi	Matrixin family protein	0.0286	0.2284	0.3549
Schistosoma mansoni	hypothetical protein	0.0406	0.3507	0.6367
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0063	0	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0323	0.2661	0.2661
Schistosoma mansoni	tyrosine kinase	0.0602	0.5508	1

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 784105