TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 400.448 | Formula: C20H20N2O5S
H donors: 0 H acceptors: 1 LogP: 3.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COCCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2c1ccc(c2)OC
InChi: 1S/C20H20N2O5S/c1-24-8-7-22-15-5-4-14(25-2)12-18(15)28-20(22)21-19(23)13-3-6-16-17(11-13)27-10-9-26-16/h3-6,11-12H,7-10H2,1-2H3/b21-20-
InChiKey: JAQQXBRSBKZRDE-MRCUWXFGSA-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	transcription factor LCR-F1	0.0035	0.1582	0.2071
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0596	0.7437
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.2086	0.1893
Brugia malayi	hypothetical protein	0.0025	0.0719	0.1089
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2367	0.2181
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0238	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.3789	0.5738
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.6604	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0596	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.1582	0.2111
Brugia malayi	CHE-14 protein	0.0041	0.2086	0.3159
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2367	0.3471
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0596	0.0562
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0596	0.7437
Onchocerca volvulus		0.0023	0.0596	0.5
Loa Loa (eye worm)	RNA binding protein	0.0062	0.3789	0.5663
Echinococcus multilocularis	protein dispatched 1	0.0047	0.2566	0.2385
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0596	0.0902
Schistosoma mansoni	hypothetical protein	0.0035	0.1582	0.2071
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0114	0.139
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0719	1
Schistosoma mansoni	hypothetical protein	0.004	0.1964	0.266
Entamoeba histolytica	hypothetical protein	0.0035	0.1582	0.2111
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0238	0.2577
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0238	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2086	0.3039
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0596	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3789	0.5473
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2367	0.2181
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0114	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0719	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0719	0.0932
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0596	0.0742
Entamoeba histolytica	hypothetical protein	0.0035	0.1582	0.2111
Entamoeba histolytica	hypothetical protein	0.0035	0.1582	0.2111
Brugia malayi	RNA binding protein	0.0062	0.3789	0.5738
Schistosoma mansoni	hypothetical protein	0.004	0.1964	0.266
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3789	0.5473
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0596	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0596	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0596	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0596	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0719	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0596	1
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.3789	0.3638
Loa Loa (eye worm)	hypothetical protein	0.0096	0.6604	1
Echinococcus multilocularis	expressed conserved protein	0.009	0.6124	0.6029
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0596	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0596	0.7437
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.2086	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0596	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.285	0.4216
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0596	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2367	0.3584
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.6726	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0719	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0596	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0238	0.2052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2367	0.3281
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2367	0.3281
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0596	0.0742
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1582	0.1377
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3789	0.5473
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.2086	0.1893
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0596	0.0742
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.6604	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3789	0.5473
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2367	0.3281
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0719	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0238	0.0191
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.3789	0.5663
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0719	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1582	0.1377
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0596	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0596	0.0562
Schistosoma mansoni	patched 1	0.0041	0.2086	0.2848
Brugia malayi	TAR-binding protein	0.0062	0.3789	0.5738
Echinococcus multilocularis	protein patched	0.0041	0.2086	0.1893
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2367	0.2181
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2367	0.2181
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3789	0.5473
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.2086	0.1893
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0596	0.0562
Schistosoma mansoni	hypothetical protein	0.004	0.1964	0.266
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.3789	0.5663
Echinococcus granulosus	expressed conserved protein	0.009	0.6124	0.6029
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0238	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0719	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0596	0.0902
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.2086	0.3039
Schistosoma mansoni	hypothetical protein	0.004	0.1964	0.266
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0719	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0238	0.2052
Echinococcus granulosus	tar DNA binding protein	0.0062	0.3789	0.3638
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0238	0.0361
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.6604	0.6521
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.6604	0.6521
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0596	0.0902
Brugia malayi	hypothetical protein	0.0035	0.1582	0.2396
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0238	0.3609

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 621133