TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 356.396 | Formula: C18H16N2O4S
H donors: 0 H acceptors: 2 LogP: 3.4 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)C(=O)N=c1sc2c(n1C)c(OC)ccc2
InChi: 1S/C18H16N2O4S/c1-20-15-13(23-2)5-4-6-14(15)25-18(20)19-16(21)11-7-9-12(10-8-11)17(22)24-3/h4-10H,1-3H3/b19-18+
InChiKey: QGVMWXGXQBTEOW-VHEBQXMUSA-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
Entamoeba histolytica	hypothetical protein	0.0078	0.1712	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0557	0.0874
Mycobacterium ulcerans	lipase LipD	0.0038	0.0557	0.0667
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0022	0.011	0.0131
Schistosoma mansoni	lamin	0.0054	0.1027	0.1027
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.1712	0.1712
Echinococcus granulosus	lamin	0.0054	0.1027	0.1027
Leishmania major	hypothetical protein, conserved	0.0038	0.0557	0.4355
Loa Loa (eye worm)	hypothetical protein	0.0221	0.5783	0.6928
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0557	0.0557
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1278	0.1531
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0557	0.0667
Echinococcus granulosus	tumor protein p63	0.0329	0.8865	0.8865
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0557	0.0557
Brugia malayi	glutaminase DH11.1	0.0311	0.8346	1
Loa Loa (eye worm)	TAR-binding protein	0.0197	0.5102	0.6113
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0045	0.0764	0.0915
Schistosoma mansoni	survival motor neuron protein	0.0045	0.0764	0.0764
Toxoplasma gondii	ABC1 family protein	0.0038	0.0557	0.4355
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0557	0.0874
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.1712	0.1712
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0197	0.0236
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.1278	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0852	0.102
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0557	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0557	0.0667
Brugia malayi	beta-lactamase	0.0038	0.0557	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0557	0.0667
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0022	0.011	0.0172
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Brugia malayi	TAR-binding protein	0.0197	0.5102	0.6113
Schistosoma mansoni	intermediate filament proteins	0.0054	0.1027	0.1027
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0557	0.0667
Brugia malayi	RNA binding protein	0.0197	0.5102	0.6113
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0022	0.011	0.0172
Trichomonas vaginalis	esterase, putative	0.0038	0.0557	0.0667
Mycobacterium ulcerans	hypothetical protein	0.0022	0.011	0.0131
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0557	0.0874
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0557	0.0667
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0557	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1027	0.1231
Echinococcus multilocularis	geminin	0.0369	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0557	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0022	0.011	0.0858
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0197	0.5102	0.6113
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1278	0.1531
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0557	0.0667
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.6372	1
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.5102	0.5102
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.5102	0.5102
Leishmania major	4-coumarate:coa ligase-like protein	0.0022	0.011	0.0858
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.1027	0.1231
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.011	0.0131
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.011	0.0131
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.1027	0.1231
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0557	0.0667
Brugia malayi	RNA recognition motif domain containing protein	0.0197	0.5102	0.6113
Brugia malayi	hypothetical protein	0.0078	0.1712	0.2051
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0557	0.0874
Echinococcus multilocularis	survival motor neuron protein 1	0.0221	0.5783	0.5783
Loa Loa (eye worm)	glutaminase	0.0311	0.8346	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0022	0.011	0.0641
Onchocerca volvulus		0.0038	0.0557	0.487
Echinococcus multilocularis	musashi	0.0054	0.1027	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0197	0.0236
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0022	0.011	0.0131
Echinococcus granulosus	intermediate filament protein	0.0054	0.1027	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0557	0.0667
Schistosoma mansoni	hypothetical protein	0.0369	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0557	0.0557
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0557	0.0874
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0557	0.0667
Schistosoma mansoni	hypothetical protein	0.0369	1	1
Brugia malayi	hypothetical protein	0.0221	0.5783	0.6928
Loa Loa (eye worm)	hypothetical protein	0.0022	0.011	0.0131
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.1027	0.1231
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0557	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.011	0.0131
Echinococcus granulosus	tar DNA binding protein	0.0197	0.5102	0.5102
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0557	0.0557
Schistosoma mansoni	lamin	0.0054	0.1027	0.1027
Onchocerca volvulus		0.0038	0.0557	0.487
Onchocerca volvulus		0.0054	0.1027	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.011	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0557	0.0667
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.1278	0.1278
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0225	0.0225
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.1278	0.1278
Onchocerca volvulus		0.0048	0.0852	0.8084
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0	0.5
Brugia malayi	beta-lactamase family protein	0.0038	0.0557	0.0667
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.5102	0.5102
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0557	0.0667
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0225	0.0225
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0557	0.0874
Echinococcus multilocularis	lamin dm0	0.0054	0.1027	0.1027
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.1278	0.2006
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0852	0.0852
Mycobacterium ulcerans	glutaminase	0.0311	0.8346	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0022	0.011	0.0858
Entamoeba histolytica	hypothetical protein	0.0078	0.1712	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0557	0.0667
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.011	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0999	0.1197
Brugia malayi	intermediate filament protein	0.0054	0.1027	0.1231
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0022	0.011	0.0131
Onchocerca volvulus		0.0045	0.0764	0.7125
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.1712	0.1712
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0225	0.027
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.5102	0.5102
Entamoeba histolytica	hypothetical protein	0.0078	0.1712	1
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0557	0.0667
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0557	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0557	1
Echinococcus multilocularis	tumor protein p63	0.0329	0.8865	0.8865
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Trichomonas vaginalis	glutaminase, putative	0.0311	0.8346	1
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.5102	0.5102
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0557	0.0667
Onchocerca volvulus		0.0054	0.1027	1
Echinococcus multilocularis	tar DNA binding protein	0.0197	0.5102	0.5102
Schistosoma mansoni	hypothetical protein	0.0045	0.0764	0.0764
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0308	0.0369
Entamoeba histolytica	hypothetical protein	0.0078	0.1712	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0557	0.0874
Loa Loa (eye worm)	glutaminase 2	0.0311	0.8346	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.1278	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0022	0.011	0.0641
Echinococcus multilocularis	lamin	0.0054	0.1027	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0022	0.011	0.0131
Schistosoma mansoni	hypothetical protein	0.0078	0.1712	0.1712
Echinococcus granulosus	survival motor neuron protein 1	0.0221	0.5783	0.5783
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0557	0.0667
Loa Loa (eye worm)	RNA binding protein	0.0197	0.5102	0.6113
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0557	0.0667
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0557	0.0667
Echinococcus granulosus	lamin dm0	0.0054	0.1027	0.1027
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0557	0.0667
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.011	0.0131
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1278	0.1531
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1278	0.1278
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0308	0.0369
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0557	0.0874
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1278	0.1278
Brugia malayi	beta-lactamase family protein	0.0038	0.0557	0.0667
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0557	0.0874
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0022	0.011	0.0131
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0557	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0022	0.011	0.0641
Onchocerca volvulus		0.0038	0.0557	0.487
Schistosoma mansoni	glutaminase	0.0311	0.8346	0.8346
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.011	0.0131

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 619235