Detailed information for compound 323188

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.297 | Formula: C10H6F3N3O5S2
  • H donors: 3 H acceptors: 7 LogP: 2.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc(nc(c1O)O)c1cccs1)NS(=O)(=O)C(F)(F)F
  • InChi: 1S/C10H6F3N3O5S2/c11-10(12,13)23(20,21)16-8(18)5-6(17)9(19)15-7(14-5)4-2-1-3-22-4/h1-3,17H,(H,16,18)(H,14,15,19)
  • InChiKey: LCJZWPYCBLLWFC-UHFFFAOYSA-N  


Substructure search Similarity search

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 mexicana PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 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 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
Entamoeba histolytica DNA repair and recombination protein, 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
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
Leishmania donovani PIF1 helicase-like 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
Trichomonas vaginalis conserved hypothetical protein 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
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
Candida albicans similar to PIF1 DNA helicase 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 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 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
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 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
Trypanosoma congolense 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
Giardia lamblia Rrm3p helicase Get druggable targets OG5_128192 All targets in OG5_128192
Schistosoma mansoni hypothetical protein 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
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
Echinococcus multilocularis ATP dependent DNA helicase PIF1 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
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
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 hypothetical protein, conserved 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
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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.2938 1
Toxoplasma gondii hypothetical protein 0.0026 0.1723 0.137
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.6012 0.5842
Loa Loa (eye worm) hypothetical protein 0.0076 1 1
Brugia malayi hypothetical protein 0.0025 0.1443 0.1443
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 1 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0034 0.2938 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4759 0.4535
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.1443 0.1077
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1443 0.1077
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0409 0.0409
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.6636 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1443 0.4086
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4759 0.4535
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.1443 0.1077
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.5649 0.4744
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4759 0.4535
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.1723 0.137
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.6636 0.6636
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.1723 0.137
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4759 0.4535
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 1 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1443 0.1077
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.2938 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.6636 0.6492
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0034 0.2938 0.2637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4759 0.4535
Giardia lamblia Rrm3p helicase 0.0034 0.2938 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0034 0.2938 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0034 0.2938 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.5649 0.5464
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.1443 0.4086
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.6636 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4759 0.4535
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 1 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0034 0.2938 0.2637
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.1443 0.166
Echinococcus granulosus peptidase Clp S14 family 0.005 0.5649 0.5464
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.6636 0.6492
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.2938 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.4759 0.4535
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.6636 0.6492
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.5649 0.8416
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.5649 0.8416
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.2938 0.4062
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.2938 0.4062
Loa Loa (eye worm) hypothetical protein 0.0025 0.1443 0.1077
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.1723 0.137
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4759 0.4535
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.6636 0.6492
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0034 0.2938 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1443 0.4086
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.4759 0.4759
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.6636 0.6492
Entamoeba histolytica DNA repair and recombination protein, putative 0.0034 0.2938 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.2938 0.2637

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.2 uM inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of hepatitis C virus ChEMBL. 15380204
IC50 (binding) = 6.2 uM inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of hepatitis C virus ChEMBL. 15380204

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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