Detailed information for compound 828271

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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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

Obtained from network model

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

Bibliographic References

No literature references available for this target.

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