TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.444 | Formula: C15H18N2O4S2
H donors: 0 H acceptors: 3 LogP: 1.68 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1N1C(=NC(=O)C)SC2C1CS(=O)(=O)C2
InChi: 1S/C15H18N2O4S2/c1-3-21-13-7-5-4-6-11(13)17-12-8-23(19,20)9-14(12)22-15(17)16-10(2)18/h4-7,12,14H,3,8-9H2,1-2H3/b16-15-
InChiKey: AVTGQZNKFOOOSK-NXVVXOECSA-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 granulosus	potassium voltage gated channel subfamily H	0.0036	0.0815	0.0815
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0026	0	0.5
Brugia malayi	Cytochrome P450 family protein	0.009	0.5245	0.5245
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.007	0.3598	0.3598
Brugia malayi	hypothetical protein	0.0078	0.4284	0.4284
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0078	0.4284	0.4284
Brugia malayi	nuclear receptor RXR	0.0078	0.4284	0.4284
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0148	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0148	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0026	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.007	0.3598	0.3598
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.1085	0.1085
Brugia malayi	Nuclear hormone receptor E75	0.007	0.3598	0.3598
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0428	0.0428
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0148	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0148	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0148	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0815	0.0815
Loa Loa (eye worm)	DR-78	0.007	0.3598	0.3598
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.007	0.3598	0.3598
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.009	0.5245	1
Brugia malayi	conserved hypotetical protein	0.007	0.3598	0.3598
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.007	0.3598	0.3598
Brugia malayi	Cytochrome P450 family protein	0.009	0.5245	0.5245
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0148	1	1
Schistosoma mansoni	coup transcription factor	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.4284	0.4284
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Trypanosoma cruzi	cytochrome P450, putative	0.009	0.5245	1
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.1085	0.1085
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0148	1	1
Brugia malayi	nuclear hormone receptor	0.007	0.3598	0.3598
Brugia malayi	Nuclear hormone receptor E75	0.007	0.3598	0.3598
Trypanosoma cruzi	cytochrome P450, putative	0.009	0.5245	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.007	0.3598	0.3598
Brugia malayi	ecdysone receptor	0.007	0.3598	0.3598
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0148	1	1
Brugia malayi	hypothetical protein	0.007	0.3598	0.3598
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0026	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0148	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0026	0	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0148	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0148	1	1
Leishmania major	cytochrome p450-like protein	0.009	0.5245	1
Schistosoma mansoni	zinc finger protein	0.007	0.3598	0.3598
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0148	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0026	0	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.007	0.3598	0.3598
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0148	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0078	0.4284	0.4284
Echinococcus granulosus	nuclear receptor nhr 48	0.007	0.3598	0.3598
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0026	0	0.5
Brugia malayi	nuclear receptor NHR-88	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0148	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0148	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0148	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0148	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0026	0	0.5
Brugia malayi	hypothetical protein	0.0078	0.4284	0.4284
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Schistosoma mansoni	nuclear hormone receptor	0.007	0.3598	0.3598
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0148	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0026	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0026	0	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0148	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0622	0.5
Brugia malayi	tailless protein	0.007	0.3598	0.3598
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0815	0.0815
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0148	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.007	0.3598	0.3598
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0026	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.4284	0.4284
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0148	1	1
Schistosoma mansoni	nuclear hormone receptor	0.007	0.3598	0.3598
Onchocerca volvulus		0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0078	0.4284	0.4284
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0622	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0026	0	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0148	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.007	0.3598	0.3598
Loa Loa (eye worm)	hypothetical protein	0.0078	0.4284	0.4284
Brugia malayi	hypothetical protein	0.007	0.3598	0.3598
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0026	0	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0148	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0148	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0148	1	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Brugia malayi	nuclear hormone receptor	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.007	0.3598	0.3598
Brugia malayi	Nuclear hormone receptor-like 1	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0078	0.4284	0.4284
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.3126	0.3126
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.007	0.3598	0.3598
Mycobacterium leprae	putative cytochrome p450	0.0026	0	0.5
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0026	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0148	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0148	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0148	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0148	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0078	0.4284	0.4284
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0026	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0148	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0148	1	1
Brugia malayi	nuclear receptor NHR-88	0.007	0.3598	0.3598
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0078	0.4284	0.4284
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0148	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0148	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.009	0.5245	0.5245
Schistosoma mansoni	retinoic acid receptor RXR	0.0148	1	1
Schistosoma mansoni	nuclear receptor	0.007	0.3598	0.3598
Echinococcus granulosus	Nuclear hormone receptor HR96	0.007	0.3598	0.3598
Brugia malayi	nuclear receptor RXR	0.007	0.3598	0.3598
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.4284	0.4284
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.007	0.3598	0.3598
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.4284	0.4284
Loa Loa (eye worm)	cytochrome P450 family protein	0.009	0.5245	0.5245
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0026	0	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.007	0.3598	0.3598
Echinococcus granulosus	ecdysone induced protein 78C	0.0148	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.007	0.3598	0.3598
Brugia malayi	steroid hormone receptor	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Brugia malayi	nuclear receptor NHR-67	0.007	0.3598	0.3598
Loa Loa (eye worm)	CYP4Cod1	0.009	0.5245	0.5245
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0148	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0148	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0078	0.4284	0.4284
Brugia malayi	nuclear hormone receptor family member odr-7	0.007	0.3598	0.3598
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0026	0	0.5
Brugia malayi	nuclear hormone receptor family member nhr-6	0.007	0.3598	0.3598
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0815	0.0815
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0148	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0148	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0148	1	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0148	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0026	0	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.007	0.3598	0.3598
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0148	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.007	0.3598	0.3598
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0148	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0148	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.007	0.3598	0.3598
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0148	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.007	0.3598	0.3598
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0148	1	1
Schistosoma mansoni	nuclear receptor	0.007	0.3598	0.3598
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0026	0	0.5
Echinococcus granulosus	thyroid hormone receptor alpha	0.007	0.3598	0.3598
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0148	1	1
Trypanosoma brucei	cytochrome P450, putative	0.009	0.5245	1
Schistosoma mansoni	nuclear hormone receptor	0.0148	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.3598	0.3598

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 828271