Detailed information for compound 351274

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.432 | Formula: C20H17N3O4S
  • H donors: 2 H acceptors: 4 LogP: 1.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(C2=NS(=O)(=O)c3c(N2)cccc3)c(=O)n(c2c1cccc2)CC1CC1
  • InChi: 1S/C20H17N3O4S/c24-18-13-5-1-3-7-15(13)23(11-12-9-10-12)20(25)17(18)19-21-14-6-2-4-8-16(14)28(26,27)22-19/h1-8,12,24H,9-11H2,(H,21,22)
  • InChiKey: WPHFUPCNMVDJHB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Hepatitis C virus Hepatitis C virus NS5B RNA-dependent RNA polymerase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative Get druggable targets OG5_128192 All targets in OG5_128192
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania braziliensis PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma congolense DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma congolense DNA repair and recombination helicase protein PIF6 Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 Get druggable targets OG5_128192 All targets in OG5_128192
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128192 All targets in OG5_128192
Echinococcus multilocularis ATP dependent DNA helicase PIF1 Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans similar to PIF1 DNA helicase Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei gambiense DNA repair and recombination helicase protein PIF1, putative,DNA repair and recombination protein, mitochondrial precursor, puta Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania donovani PIF1 helicase-like protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei gambiense DNA repair and recombination helicase protein PIF1, putative,DNA repair and recombination protein, mitochondrial precursor, puta Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania donovani PIF1 helicase-like protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania mexicana PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania braziliensis PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Echinococcus granulosus ATP dependent DNA helicase PIF1 Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans similar to putative DNA helicase involved in repair and recombination of mitochondrial DNA that also plays a role in (nuclear) c Get druggable targets OG5_128192 All targets in OG5_128192
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania infantum PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Entamoeba histolytica DNA repair and recombination protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans DNA helicase Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania mexicana PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Schistosoma japonicum ko:K01529 PIF1 5'-to-3' DNA helicase [EC:3.6.1.-], putative Get druggable targets OG5_128192 All targets in OG5_128192
Giardia lamblia Rrm3p helicase Get druggable targets OG5_128192 All targets in OG5_128192

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 intermediate filament protein 0.0031 0.0808 0.0794
Brugia malayi Cytochrome P450 family protein 0.0026 0.0546 0.062
Brugia malayi Cytochrome P450 family protein 0.0026 0.0546 0.062
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0808 0.0916
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0861 0.0066
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0861 0.0977
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0861 0.0847
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0861 0.0847
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0086 0.0097
Schistosoma mansoni hypothetical protein 0.0195 1 1
Onchocerca volvulus 0.0076 0.3322 0.314
Echinococcus multilocularis musashi 0.0031 0.0808 0.0794
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0694 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Brugia malayi intermediate filament protein 0.0031 0.0808 0.0916
Entamoeba histolytica DNA repair and recombination protein, putative 0.0034 0.0952 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0808 0.0916
Schistosoma mansoni hypothetical protein 0.0018 0.0086 0.007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0861 0.0847
Loa Loa (eye worm) hypothetical protein 0.0174 0.8817 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0861 0.0977
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0861 0.0977
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0861 0.0847
Loa Loa (eye worm) hypothetical protein 0.0057 0.2284 0.2591
Echinococcus multilocularis lamin dm0 0.0031 0.0808 0.0794
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.0952 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0015 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0861 0.0977
Giardia lamblia Rrm3p helicase 0.0034 0.0952 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0861 0.0847
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0861 0.0977
Brugia malayi Cytochrome P450 family protein 0.0038 0.1212 0.1375
Brugia malayi bZIP transcription factor family protein 0.0097 0.4486 0.5088
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0861 0.0977
Brugia malayi hypothetical protein 0.0019 0.0118 0.0134
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0015 0.0017
Loa Loa (eye worm) hypothetical protein 0.0018 0.0086 0.0097
Loa Loa (eye worm) hypothetical protein 0.0029 0.0694 0.0787
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0861 0.0977
Schistosoma mansoni hypothetical protein 0.0018 0.0086 0.007
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0034 0.0952 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0861 0.0977
Brugia malayi hypothetical protein 0.0017 0.0015 0.0017
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0861 0.0847
Onchocerca volvulus 0.0174 0.8817 1
Schistosoma mansoni hypothetical protein 0.0078 0.3471 0.3461
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0694 0.5
Schistosoma mansoni intermediate filament proteins 0.0031 0.0808 0.0794
Schistosoma mansoni hypothetical protein 0.0195 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.677 0.7679
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0861 0.0847
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0861 0.0847
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0861 0.0847
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0097 0.4486 0.4477
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0861 0.0847
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0861 0.0977
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0861 0.0847
Loa Loa (eye worm) hypothetical protein 0.0017 0.0015 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1267 0.1437
Brugia malayi steroid hormone receptor 0.0032 0.0861 0.0977
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0034 0.0952 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0015 0.0017
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0034 0.0952 1
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0861 0.0847
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0861 0.0847
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0015 0.0017
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0546 0.062
Brugia malayi hypothetical protein 0.0174 0.8817 1
Schistosoma mansoni jun-related protein 0.0078 0.3471 0.3461
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0861 0.0847
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0861 0.0977
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0861 0.0977
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0861 0.0977
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.0952 1
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0861 0.0847
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0861 0.0066
Echinococcus granulosus lamin dm0 0.0031 0.0808 0.0794
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0861 0.0847
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0808 0.0916
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.1212 0.1375
Brugia malayi hypothetical protein 0.0029 0.0694 0.0787
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.0952 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0861 0.0977
Brugia malayi nuclear receptor NHR-88 0.0032 0.0861 0.0977
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.2284 0.2591
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0861 0.0847
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0861 0.0847
Echinococcus multilocularis lamin 0.0031 0.0808 0.0794
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0861 0.0847
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0015 0.0017
Loa Loa (eye worm) hypothetical protein 0.0094 0.4337 0.4919
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Schistosoma mansoni hypothetical protein 0.0018 0.0086 0.007
Loa Loa (eye worm) hypothetical protein 0.0017 0.0015 0.0017
Loa Loa (eye worm) hypothetical protein 0.0039 0.1267 0.1437
Brugia malayi nuclear receptor RXR 0.0017 0.0015 0.0017
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0861 0.0847
Loa Loa (eye worm) hypothetical protein 0.003 0.0776 0.088
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0086 0.007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.2284 0.2591
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0034 0.0952 0.0938
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0952 0.5
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0861 0.0847
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0861 0.0977
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.0952 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0808 0.0916
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0694 0.3643
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0861 0.0977
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0861 0.0977
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0861 0.0847
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0861 0.0847
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0694 0.3643
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0861 0.0977
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0861 0.0847
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0861 0.0847
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0546 0.062
Entamoeba histolytica hypothetical protein, conserved 0.0034 0.0952 0.5
Schistosoma mansoni lamin 0.0031 0.0808 0.0794
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0546 0.062
Schistosoma mansoni coup transcription factor 0.0032 0.0861 0.0847
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0861 0.0847
Loa Loa (eye worm) hypothetical protein 0.0017 0.0015 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0861 0.0977
Brugia malayi hypothetical protein 0.0076 0.3322 0.3768
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0861 0.0977
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.2284 0.2591
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0861 0.0977
Schistosoma mansoni lamin 0.0031 0.0808 0.0794
Echinococcus multilocularis geminin 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0861 0.0977
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0861 0.0977
Brugia malayi ecdysteroid receptor 0.0032 0.0861 0.0977
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0034 0.0952 0.0938
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0086 0.0097
Brugia malayi nuclear hormone receptor 0.0032 0.0861 0.0977
Schistosoma mansoni hypothetical protein 0.0034 0.0952 0.0938
Echinococcus granulosus lamin 0.0031 0.0808 0.0794
Echinococcus multilocularis jun protein 0.0097 0.4486 0.4477
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0546 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0861 0.0847
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0861 0.0847
Echinococcus multilocularis GPCR, family 2 0.0018 0.0086 0.007
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0861 0.0066
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0086 0.007
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0694 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.677 0.7679
Brugia malayi hypothetical protein 0.0017 0.0015 0.0017
Loa Loa (eye worm) hypothetical protein 0.0032 0.0861 0.0977
Onchocerca volvulus 0.0032 0.0861 0.0066
Echinococcus granulosus jun protein 0.0097 0.4486 0.4477
Schistosoma mansoni hypothetical protein 0.0039 0.1267 0.1253
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0086 0.0097
Brugia malayi MH2 domain containing protein 0.0137 0.677 0.7679
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0694 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0694 0.3643
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0086 0.007
Leishmania major hypothetical protein, conserved 0.0029 0.0694 0.3643
Schistosoma mansoni hypothetical protein 0.0018 0.0086 0.007
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0861 0.0847
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0861 0.0977
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0861 0.0847
Echinococcus granulosus GPCR family 2 0.0018 0.0086 0.007
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0097 0.4486 0.4477
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0861 0.0977
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0086 0.007

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 78 nM Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay ChEMBL. 16451063
IC50 (binding) = 78 nM Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay ChEMBL. 16451063

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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