Detailed information for compound 925072

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 771.346 | Formula: C36H43ClN6O7S2
  • H donors: 2 H acceptors: 7 LogP: 4.85 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc2c(c1Cl)nc(cc2OC[C@@H]1C[C@@H]2N1C(=O)N[C@]1(C[C@@H]1/C=C\CCCCN(C2=O)C)C(=O)NS(=O)(=O)C1CC1)c1scc(n1)C(C)C
  • InChi: 1S/C36H43ClN6O7S2/c1-20(2)26-19-51-32(39-26)25-16-29(24-12-13-28(49-4)30(37)31(24)38-25)50-18-22-15-27-33(44)42(3)14-8-6-5-7-9-21-17-36(21,40-35(46)43(22)27)34(45)41-52(47,48)23-10-11-23/h7,9,12-13,16,19-23,27H,5-6,8,10-11,14-15,17-18H2,1-4H3,(H,40,46)(H,41,45)/b9-7-/t21-,22-,27-,36-/m0/s1
  • InChiKey: QQPKDSKNRBCPLH-JFVDUDGYSA-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 Nonstructural protein NS3-4A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium berghei pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43, putative Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans potential helicase similar to S. cerevisiae PRP2 (YNR011C) spliceosomal DEAD box ATPase that functions just prior to first step Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania infantum pre-mRNA splicing factor ATP-dependent RNA helicase, putative,dead/h helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium hominis pre-mRNA splicing factor ATP-dependent RNA helicase Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma cruzi pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania donovani pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma congolense pre-mRNA-splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Neospora caninum hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Onchocerca volvulus Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma japonicum ko:K01509 adenosinetriphosphatase [EC3.6.1.3], putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania mexicana pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Giardia lamblia RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium parvum pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium vivax pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16, putative Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus granulosus ATP dependent RNA helicase DHX8 Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium parvum PRP43 involved in spliceosome disassembly mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania braziliensis pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Entamoeba histolytica helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma brucei pre-mRNA-splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Babesia bovis RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma brucei gambiense pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma japonicum ko:K01509 adenosinetriphosphatase [EC3.6.1.3], putative Get druggable targets OG5_126599 All targets in OG5_126599
Brugia malayi Pre-mRNA splicing factor ATP-dependent RNA helicase F56D2.6 Get druggable targets OG5_126599 All targets in OG5_126599
Loa Loa (eye worm) pre-mRNA splicing factor ATP-dependent RNA helicase Get druggable targets OG5_126599 All targets in OG5_126599
Neospora caninum hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania braziliensis pre-mRNA splicing factor, putative Get druggable targets OG5_126599 All targets in OG5_126599
Theileria parva ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Loa Loa (eye worm) Dhx8 protein Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans potential helicase similar to S. cerevisiae PRP2 (YNR011C) spliceosomal DEAD box ATPase that functions just prior to first step Get druggable targets OG5_126599 All targets in OG5_126599
Neospora caninum hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus granulosus pre mRNA splicing factor ATP dependent RNA Get druggable targets OG5_126599 All targets in OG5_126599
Toxoplasma gondii helicase associated domain (ha2) protein Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans DEAH box helicase involved in pre-mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Toxoplasma gondii hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus multilocularis pre mRNA splicing factor ATP dependent Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma brucei pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium vivax RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium berghei pre-mRNA-splicing factor ATP-dependent RNA helicase PRP22, putative Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus multilocularis pre mRNA splicing factor ATP dependent Get druggable targets OG5_126599 All targets in OG5_126599
Loa Loa (eye worm) sex determination protein MOG-1 Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium yoelii pre-mRNA splicing factor ATP-dependent RNA helicase-like protein-related Get druggable targets OG5_126599 All targets in OG5_126599
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans DEAH box helicase involved in pre-mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Theileria parva splicing factor, putative Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus multilocularis pre mRNA splicing factor ATP dependent RNA Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma congolense RNA helicase Prp43 Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium yoelii ATP-dependent RNA helicase-like protein Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma congolense pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma brucei RNA helicase Prp43 Get druggable targets OG5_126599 All targets in OG5_126599
Toxoplasma gondii pre-mRNA-splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Loa Loa (eye worm) dead box protein 15 Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium knowlesi pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania braziliensis pre-mRNA splicing factor ATP-dependent RNA helicase, putative,dead/h helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium knowlesi pre-mRNA-splicing factor ATP-dependent RNA helicase PRP22, putative Get druggable targets OG5_126599 All targets in OG5_126599
Neospora caninum hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Entamoeba histolytica helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Treponema pallidum ATP-dependent helicase (hrpA) Get druggable targets OG5_126599 All targets in OG5_126599
Brugia malayi pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma mansoni ATP-dependent RNA Helicase Get druggable targets OG5_126599 All targets in OG5_126599
Entamoeba histolytica helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania donovani pre-mRNA-splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma japonicum ko:K01509 adenosinetriphosphatase [EC3.6.1.3], putative Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma mansoni ATP-dependent RNA Helicase Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium parvum Prp16p pre-mRNA splicing factor. HrpA family SFII helicase Get druggable targets OG5_126599 All targets in OG5_126599
Entamoeba histolytica helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Babesia bovis pre-mRNA splicing factor RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium knowlesi pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania donovani pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium berghei pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16, putative Get druggable targets OG5_126599 All targets in OG5_126599
Loa Loa (eye worm) DEAH box polypeptide 8 Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma japonicum ko:K01509 adenosinetriphosphatase [EC3.6.1.3], putative Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus multilocularis ATP dependent RNA helicase DHX8 Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium falciparum pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma cruzi pre-mRNA-splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Babesia bovis DEAH box RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania mexicana pre-mRNA splicing factor ATP-dependent RNA helicase, putative,dead/h helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Brugia malayi Probable pre-mRNA splicing factor ATP-dependent RNA helicase mog-1 Get druggable targets OG5_126599 All targets in OG5_126599
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Babesia bovis RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans potential helicase similar to S. cerevisiae PRP43 (YGL120C) DEAH box helicase involved in pre-mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus granulosus pre mRNA splicing factor ATP dependent Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma cruzi pre-mRNA-splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans potential helicase similar to S. cerevisiae PRP43 (YGL120C) DEAH box helicase involved in pre-mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans DEAH box helicase involved in pre-mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma brucei gambiense pre-mRNA splicing factor ATP-dependent RNA helicase, putative,RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania major pre-mRNA splicing factor, putative Get druggable targets OG5_126599 All targets in OG5_126599
Theileria parva RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania major pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Toxoplasma gondii pre-mRNA-processing protein 8, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania major pre-mRNA splicing factor ATP-dependent RNA helicase, putative,dead/h helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium hominis RNA helicase Get druggable targets OG5_126599 All targets in OG5_126599
Brugia malayi ATP-dependent helicase DHX8 Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus granulosus DSS1 SEM1 domain containing protein Get druggable targets OG5_126599 All targets in OG5_126599
Toxoplasma gondii ATP-dependent RNA helicase Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania infantum pre-mRNA splicing factor, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania mexicana pre-mRNA splicing factor, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium falciparum pre-mRNA-splicing factor ATP-dependent RNA helicase PRP22, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma cruzi pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium yoelii ATP-dependent helicase ddx8 Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus multilocularis DSS1 (SEM1) domain containing protein Get druggable targets OG5_126599 All targets in OG5_126599
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium vivax pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania infantum pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium falciparum pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma mansoni ATP-dependent RNA Helicase Get druggable targets OG5_126599 All targets in OG5_126599
Giardia lamblia RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium hominis DEAH-box RNA helicase Get druggable targets OG5_126599 All targets in OG5_126599
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium yoelii Unknown protein Get druggable targets OG5_126599 All targets in OG5_126599
Theileria parva RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans DEAH box helicase involved in pre-mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus granulosus pre mRNA splicing factor ATP dependent Get druggable targets OG5_126599 All targets in OG5_126599

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
Trypanosoma brucei fatty acid desaturase, putative 0.034 1 0.5
Loa Loa (eye worm) acyl-CoA desaturase 0.0294 0 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.034 1 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0294 0 0.5
Onchocerca volvulus 0.034 1 0.5
Leishmania major fatty-acid desaturase, putative 0.034 1 0.5
Plasmodium falciparum stearoyl-CoA desaturase 0.0294 0 0.5
Brugia malayi acyl-CoA desaturase 0.0294 0 0.5
Onchocerca volvulus 0.034 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < 1000 nM Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay ChEMBL. 25155387

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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