TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.839 | Formula: C21H19ClN2O5
H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)NC(=O)c1cccn(c1=O)OCc1cccc(c1)Cl)OC
InChi: 1S/C21H19ClN2O5/c1-27-16-8-9-19(28-2)18(12-16)23-20(25)17-7-4-10-24(21(17)26)29-13-14-5-3-6-15(22)11-14/h3-12H,13H2,1-2H3,(H,23,25)
InChiKey: DYHXUYSTSALSRC-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
Brugia malayi	jmjC domain containing protein	0.0036	0.0414	0.0801
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0972	0.1957
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.1969	0.3329
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.2682	0.3717
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0031	0.0228	0.041
Echinococcus multilocularis	heat shock protein 90	0.004	0.0564	0.1014
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0178	0.0321
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0031	0.0228	0.0106
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.2682	0.908
Trichomonas vaginalis	heat shock protein, putative	0.0047	0.0817	0.2767
Trypanosoma cruzi	heat shock protein 90, putative	0.004	0.0564	0.0781
Trichomonas vaginalis	heat shock protein, putative	0.0027	0.0082	0.0277
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0414	0.0744
Trypanosoma cruzi	heat shock protein 90, putative	0.0047	0.0817	0.1133
Trichomonas vaginalis	endoplasmin, putative	0.0034	0.0336	0.1136
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.029	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0047	0.0817	0.1133
Trypanosoma cruzi	heat shock protein 85, putative	0.0047	0.0817	0.1133
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.2682	0.4827
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0853	0.2889
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0095	0.2636	0.5
Echinococcus granulosus	geminin	0.0172	0.5557	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.044	0.0792
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Leishmania major	heat shock protein, putative	0.0031	0.0228	0.0316
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.2682	0.3717
Brugia malayi	TAR-binding protein	0.0064	0.1489	0.3029
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1489	0.2437
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Entamoeba histolytica	heat shock protein 90, putative	0.0047	0.0817	0.2402
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.2682	0.4827
Loa Loa (eye worm)	hypothetical protein	0.0154	0.4854	1
Schistosoma mansoni	heat shock protein	0.0031	0.0228	0.0092
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0027	0.0038
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.1489	0.3029
Plasmodium falciparum	heat shock protein 90, putative	0.0177	0.5718	0.5706
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0178	0.0266
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Trypanosoma cruzi	heat shock protein 85, putative	0.004	0.0564	0.0781
Brugia malayi	hypothetical protein	0.0154	0.4854	1
Toxoplasma gondii	heat shock protein 75, putative	0.0031	0.0228	0.0353
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.044	0.0792
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.1369	0.2779
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0095	0.2636	0.3628
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0972	0.1957
Trypanosoma cruzi	Heat shock protein 83, putative	0.0047	0.0817	0.1133
Toxoplasma gondii	heat shock protein HSP90	0.0047	0.0817	0.1389
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0977	0.1968
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0044	0.0709	0.0709
Trypanosoma brucei	heat shock protein 90, putative	0.0047	0.0817	0.1099
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0367	0.0705
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0103	0.2954	1
Toxoplasma gondii	heat shock protein 90, putative	0.0047	0.0817	0.1389
Brugia malayi	Bromodomain containing protein	0.003	0.0178	0.0314
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1489	0.2437
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.029	1	1
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0033	0.0301	0.0301
Echinococcus granulosus	heat shock protein 90	0.0047	0.0817	0.1471
Brugia malayi	hypothetical protein	0.0037	0.044	0.0856
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0103	0.2954	0.2935
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0044	0.0709	0.0983
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0178	0.0314
Leishmania major	hypothetical protein, conserved	0.0026	0.0027	0.0038
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0616	0.1109
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0095	0.2636	0.3652
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0414	0.0437
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0103	0.2954	0.2935
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.2721	0.4897
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0031	0.0245	0.034
Trichomonas vaginalis	heat shock protein, putative	0.004	0.0564	0.1908
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.2682	0.908
Plasmodium vivax	heat shock protein, putative	0.0177	0.5718	0.5706
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0178	0.0266
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Echinococcus multilocularis	peregrin	0.003	0.0178	0.0321
Trypanosoma brucei	Heat shock protein 83, putative	0.0047	0.0817	0.1099
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0178	0.0152
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1489	0.2437
Entamoeba histolytica	hypothetical protein	0.0037	0.044	0.0865
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.2682	0.4655
Schistosoma mansoni	endoplasmin	0.0047	0.0817	0.1188
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.7216	1
Echinococcus multilocularis	geminin	0.0172	0.5557	1
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0103	0.2954	1
Plasmodium falciparum	heat shock protein 90, putative	0.0027	0.0082	0.0055
Schistosoma mansoni	endoplasmin	0.0047	0.0817	0.1188
Plasmodium falciparum	phd finger protein, putative	0.003	0.0178	0.0152
Trichomonas vaginalis	heat shock protein, putative	0.0044	0.0709	0.2402
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0095	0.2636	0.4569
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.029	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0367	0.0705
Echinococcus granulosus	heat shock protein	0.0047	0.0817	0.1471
Brugia malayi	heat shock protein 90	0.0047	0.0817	0.1637
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0095	0.2636	0.5405
Brugia malayi	Endoplasmin precursor	0.0047	0.0817	0.1637
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.029	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0047	0.0817	0.2402
Brugia malayi	PHD-finger family protein	0.003	0.0178	0.0314
Schistosoma mansoni	heat shock protein	0.0047	0.0817	0.1188
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0044	0.0709	0.5
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0178	0.0321
Echinococcus granulosus	endoplasmin	0.0044	0.0709	0.1277
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0095	0.2636	0.4743
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Schistosoma mansoni	hypothetical protein	0.0172	0.5557	1
Echinococcus granulosus	heat shock protein 90	0.004	0.0564	0.1014
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0972	0.1957
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.1489	0.3029
Schistosoma mansoni	heat shock protein	0.0047	0.0817	0.1188
Loa Loa (eye worm)	heat shock protein 90	0.0047	0.0817	0.1637
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.2721	0.4897
Echinococcus multilocularis	heat shock protein	0.0047	0.0817	0.1471
Plasmodium vivax	heat shock protein 86, putative	0.0047	0.0817	0.0792
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.2682	0.908
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.2682	0.908
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0853	0.2889
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1489	0.2437
Echinococcus multilocularis	heat shock protein 90	0.0047	0.0817	0.1471
Trichomonas vaginalis	heat shock protein, putative	0.0034	0.0336	0.1136
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0095	0.2636	0.4743
Trypanosoma cruzi	heat shock protein, putative	0.0031	0.0228	0.0316
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0103	0.2954	1
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0095	0.2636	0.3652
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.1489	0.268
Echinococcus multilocularis	endoplasmin	0.0044	0.0709	0.1277
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0616	0.1109
Loa Loa (eye worm)	hypothetical protein	0.003	0.0178	0.0314
Toxoplasma gondii	Hsp90 domain-containing protein	0.0177	0.5718	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.2682	0.908
Entamoeba histolytica	hypothetical protein	0.0037	0.044	0.0865
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Trypanosoma brucei	polo-like protein kinase	0.0096	0.2682	0.3693
Brugia malayi	RNA binding protein	0.0064	0.1489	0.3029
Entamoeba histolytica	hypothetical protein	0.0037	0.044	0.0865
Echinococcus granulosus	peregrin	0.003	0.0178	0.0321
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0095	0.2636	0.2636
Loa Loa (eye worm)	heat shock protein 75	0.0031	0.0228	0.0416
Giardia lamblia	Heat shock protein HSP 90-alpha	0.004	0.0564	0.1388
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.004	0.0564	0.1014
Trypanosoma brucei	heat shock protein 84, putative	0.0031	0.0228	0.0279
Trypanosoma brucei	hypothetical protein, conserved	0.0216	0.7216	1
Plasmodium vivax	heat shock protein 90, putative	0.0031	0.0228	0.0201
Schistosoma mansoni	hypothetical protein	0.0037	0.044	0.0486
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0062	0.1396	0.2405
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0062	0.1396	0.1396
Treponema pallidum	hypothetical protein	0.029	1	1
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0103	0.2954	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0367	0.0351
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.2682	0.908
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.1489	0.3029
Brugia malayi	Hsp90 protein	0.0031	0.0228	0.0416
Echinococcus granulosus	tar DNA binding protein	0.0064	0.1489	0.268
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.2682	0.3717
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.2682	1
Trypanosoma brucei	heat shock protein 90, putative	0.0047	0.0817	0.1099
Leishmania major	hypothetical protein, conserved	0.0216	0.7216	1
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0095	0.2636	0.5405
Brugia malayi	jmjC domain containing protein	0.0097	0.2721	0.5582
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0414	0.0437
Loa Loa (eye worm)	RNA binding protein	0.0064	0.1489	0.3029
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.2682	0.5501
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1489	0.2437
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0103	0.2954	0.5143
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0972	0.1957
Plasmodium falciparum	endoplasmin, putative	0.0034	0.0336	0.0309
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0095	0.2636	0.2073
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0414	0.0801
Plasmodium vivax	endoplasmin, putative	0.0047	0.0817	0.0792
Schistosoma mansoni	kinase	0.0049	0.0901	0.1344
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Onchocerca volvulus		0.0154	0.4854	1
Giardia lamblia	Grp94/Hsp90	0.0044	0.0709	0.1913
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.2682	0.908
Entamoeba histolytica	hypothetical protein	0.0037	0.044	0.0865
Trypanosoma cruzi	heat shock protein 85, putative	0.0047	0.0817	0.1133
Schistosoma mansoni	hypothetical protein	0.0172	0.5557	1
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0031	0.0211	0.0292
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.2682	0.5501
Leishmania major	heat shock protein 83-1	0.0047	0.0817	0.1133
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0047	0.0817	0.2302
Mycobacterium ulcerans	heat shock protein 90	0.0044	0.0709	0.0709
Loa Loa (eye worm)	endoplasmin	0.0047	0.0817	0.1637
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0027	0.0038
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.2682	0.5355
Plasmodium falciparum	heat shock protein 90	0.0047	0.0817	0.0792
Giardia lamblia	Kinase, PLK	0.0096	0.2682	0.902
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0414	0.0744
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0031	0.0228	0.041
Trichomonas vaginalis	heat shock protein, putative	0.0044	0.0709	0.2402
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.7216	1
Trypanosoma brucei	heat shock protein, putative	0.0047	0.0817	0.1099
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.044	0.0486

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 837146