TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 562.681 | Formula: C24H26N4O6S3
H donors: 3 H acceptors: 6 LogP: 1.87 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: OC1=C(C2=NS(=O)(=O)c3c(N2)ccc(c3)NS(=O)(=O)C)C(=O)N([C@@H]2[C@H]1C1CCC2CC1)Cc1cccs1
InChi: 1S/C24H26N4O6S3/c1-36(31,32)26-15-8-9-17-18(11-15)37(33,34)27-23(25-17)20-22(29)19-13-4-6-14(7-5-13)21(19)28(24(20)30)12-16-3-2-10-35-16/h2-3,8-11,13-14,19,21,26,29H,4-7,12H2,1H3,(H,25,27)/t13?,14?,19-,21+/m1/s1
InChiKey: CALQRYHVGBSXJK-NPWGZZIZSA-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
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Loa Loa (eye worm)	nuclear factor I	0.0005	0.0075	0.0075
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0389	0.1391
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0389	0.1391
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0389	0.0816
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0389	0.1391
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.4222	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.2794	0.5
Brugia malayi	MH1 domain containing protein	0.0008	0.0389	0.0389
Entamoeba histolytica	hypothetical protein	0.0036	0.2794	0.5
Echinococcus multilocularis	smad	0.0008	0.0389	0.1391
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0281	0.1005
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0228	0.5
Brugia malayi	MH1 domain containing protein	0.0005	0.0075	0.0075
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0228	0.5
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0389	0.0816
Echinococcus granulosus	Smad4	0.0008	0.0389	0.1391
Brugia malayi	CXXC zinc finger family protein	0.0028	0.208	0.208
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Brugia malayi	MH1 domain containing protein	0.0008	0.0389	0.0389
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0281	0.0589
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0389	0.0816
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	1	1
Schistosoma mansoni	cpg binding protein	0.0028	0.208	0.4366
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0228	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0389	0.0816
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0427	0.1527
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0427	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.2794	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0029	0.0062
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.208	0.208
Brugia malayi	hypothetical protein	0.0036	0.2794	0.2794
Loa Loa (eye worm)	Smad1	0.0008	0.0389	0.0389
Loa Loa (eye worm)	transcription factor SMAD2	0.012	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0228	0.5
Echinococcus multilocularis	cpg binding protein	0.0029	0.2217	0.7934
Schistosoma mansoni	hypothetical protein	0.0036	0.2794	0.5864
Brugia malayi	MH1 domain containing protein	0.0005	0.0075	0.0075
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0281	0.1005
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0228	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0281	0.1005
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0228	0.5
Schistosoma mansoni	Smad4	0.0008	0.0389	0.0816
Schistosoma mansoni	cpg binding protein	0.0029	0.2217	0.4653
Schistosoma mansoni	cpg binding protein	0.0029	0.2217	0.4653
Echinococcus multilocularis	Smad4	0.0008	0.0389	0.1391
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.2794	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0389	0.0389
Brugia malayi	MH2 domain containing protein	0.0008	0.0389	0.0389
Onchocerca volvulus		0.0028	0.208	1
Brugia malayi	MH2 domain containing protein	0.0008	0.0389	0.0389
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.2794	0.5864
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0389	0.0389
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0427	0.1527
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0281	0.1005
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Echinococcus granulosus	smad	0.0008	0.0389	0.1391
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0389	0.1391
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0417	0.0417
Schistosoma mansoni	smad	0.0008	0.0389	0.0816
Entamoeba histolytica	hypothetical protein	0.0036	0.2794	0.5
Echinococcus granulosus	cpg binding protein	0.0029	0.2217	0.7934
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Brugia malayi	Smad1	0.0008	0.0389	0.0389
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0228	0.5
Trichomonas vaginalis	helicase, putative	0.0006	0.0228	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0228	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.4765	1
Entamoeba histolytica	hypothetical protein	0.0036	0.2794	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0228	0.5
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0075	0.0075

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

ChEMBL: CHEMBL1079952

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1127024