Detailed information for compound 60133

Basic information

Technical information
  • TDR Targets ID: 60133
  • Name: BILN 2061
  • MW: 774.925 | Formula: C40H50N6O8S
  • H donors: 4 H acceptors: 7 LogP: 6.43 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc2c(c1)nc(cc2O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CCCCC/C=C\[C@H]1[C@](NC2=O)(C1)C(=O)O)NC(=O)OC1CCCC1)c1csc(n1)NC(C)C
  • InChi: 1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
  • InChiKey: PJZPDFUUXKKDNB-KNINVFKUSA-N  

Network

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Synonyms

  • AIDS-195599
  • AIDS195599
  • BILN-2061
  • BILN2061
  • Ciluprevir
  • Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid, 6-[[(cyclopentyloxy)carbonyl]amino]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[[7-methoxy-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxo-, (2R,6S,13aS,14aR,16aS)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Hepatitis C virus Nonstructural protein NS3-4A Starlite/ChEMBL References
Hepatitis C virus Hepatitis C virus NS3 protease/helicase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica DEAD/DEAH box helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Toxoplasma gondii helicase associated domain (ha2) protein 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
Echinococcus multilocularis ATP dependent RNA helicase DHX8 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
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 eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Brugia malayi Pre-mRNA splicing factor ATP-dependent RNA helicase F56D2.6 Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium hominis RNA helicase Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
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
Loa Loa (eye worm) hypothetical protein 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
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
Brugia malayi ATP-dependent helicase DHX8 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
Leishmania braziliensis pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Cryptosporidium hominis eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania donovani Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium yoelii RNA helicase-1 Get druggable targets OG5_126984 All targets in OG5_126984
Treponema pallidum ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum ko:K01509 adenosinetriphosphatase [EC3.6.1.3], 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
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium parvum eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
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
Babesia bovis eukaryotic translation initiation factor 4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei gambiense 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
Echinococcus multilocularis DSS1 (SEM1) domain containing protein 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
Plasmodium yoelii ATP-dependent RNA helicase-like protein Get druggable targets OG5_126599 All targets in OG5_126599
Theileria parva RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania infantum pre-mRNA splicing factor, 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
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
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
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
Plasmodium falciparum eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium vivax RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma congolense pre-mRNA-splicing factor ATP-dependent RNA helicase, 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
Candida albicans DEAH box helicase involved in pre-mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium berghei eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Toxoplasma gondii pre-mRNA-processing protein 8, putative Get druggable targets OG5_126599 All targets in OG5_126599
Plasmodium knowlesi eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni ATP-dependent RNA Helicase 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
Candida albicans DEAH box helicase involved in pre-mRNA splicing 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
Cryptosporidium parvum Prp16p pre-mRNA splicing factor. HrpA family SFII helicase Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania braziliensis pre-mRNA splicing factor, putative 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
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
Plasmodium yoelii pre-mRNA splicing factor ATP-dependent RNA helicase-like protein-related 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
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
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
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus multilocularis pre mRNA splicing factor ATP dependent RNA Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus DSS1 SEM1 domain containing protein 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
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
Treponema pallidum ATP-dependent helicase (hrpA) 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
Trichomonas vaginalis ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Onchocerca volvulus Eukaryotic initiation factor 4A homolog Get druggable targets OG5_126984 All targets in OG5_126984
Neospora caninum DEAD-box ATP-dependent RNA helicase 34 (EC 3.6.1.-), related Get druggable targets OG5_126984 All targets in OG5_126984
Loa Loa (eye worm) Dhx8 protein 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
Cryptosporidium parvum pre-mRNA splicing factor ATP-dependent RNA helicase, putative 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 cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma congolense RNA helicase Prp43 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
Cryptosporidium hominis pre-mRNA splicing factor ATP-dependent RNA helicase 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
Echinococcus multilocularis eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium yoelii ATP-dependent helicase ddx8 Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus multilocularis eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Babesia bovis DEAH box 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
Entamoeba histolytica 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 PRP22, putative Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma japonicum Eukaryotic initiation factor 4A-II, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Toxoplasma gondii hypothetical 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 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 pre-mRNA splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Entamoeba histolytica 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
Neospora caninum hypothetical protein 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
Echinococcus multilocularis pre mRNA splicing factor ATP dependent Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium falciparum pre-mRNA-splicing factor ATP-dependent RNA helicase PRP22, putative Get druggable targets OG5_126599 All targets in OG5_126599
Echinococcus granulosus eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Loa Loa (eye worm) sex determination protein MOG-1 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
Echinococcus multilocularis pre mRNA splicing factor ATP dependent Get druggable targets OG5_126599 All targets in OG5_126599
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania mexicana Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium hominis DEAH-box RNA helicase 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
Trypanosoma brucei 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
Entamoeba histolytica helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Giardia lamblia Translation initiation factor eIF-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni ATP-dependent RNA Helicase 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
Trypanosoma brucei Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei gambiense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus pre mRNA splicing factor ATP dependent Get druggable targets OG5_126599 All targets in OG5_126599
Neospora caninum hypothetical protein 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
Leishmania donovani pre-mRNA-splicing factor ATP-dependent RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Toxoplasma gondii eukaryotic initiation factor-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium parvum hypothetical protein 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
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Babesia bovis RNA helicase, putative Get druggable targets OG5_126599 All targets in OG5_126599
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium knowlesi pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43, putative 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
Cryptosporidium parvum PRP43 involved in spliceosome disassembly mRNA splicing Get druggable targets OG5_126599 All targets in OG5_126599
Schistosoma japonicum ATP-dependent RNA helicase eIF4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum Eukaryotic initiation factor 4A-III, putative Get druggable targets OG5_126984 All targets in OG5_126984
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
Brugia malayi pre-mRNA splicing factor ATP-dependent RNA 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
Theileria parva splicing factor, 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
Leishmania mexicana pre-mRNA splicing factor ATP-dependent RNA helicase, 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
Theileria parva 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
Leishmania major pre-mRNA splicing factor, putative Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania braziliensis eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus pre mRNA splicing factor ATP dependent 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
Leishmania mexicana pre-mRNA splicing factor, putative Get druggable targets OG5_126599 All targets in OG5_126599
Trypanosoma congolense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
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
Neospora caninum hypothetical protein Get druggable targets OG5_126599 All targets in OG5_126599
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi pre-mRNA-splicing factor ATP-dependent RNA helicase, putative 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 cruzi C-8 sterol isomerase, putative 0.0427 0.0878 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0108 0 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.3731 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0321 0.0586 1
Onchocerca volvulus 0.0321 0.0586 0.0725
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0321 0.0586 1
Leishmania major macrophage migration inhibitory factor-like protein 0.3731 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.3731 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1592 0.4094 0.4094
Brugia malayi hypothetical protein 0.0121 0.0036 0.0036
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0108 0 0.5
Echinococcus multilocularis 6 phosphofructokinase 0.0108 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0321 0.0586 0.0586
Trichomonas vaginalis conserved hypothetical protein 0.3731 1 1
Loa Loa (eye worm) hypothetical protein 0.0427 0.0878 0.0878
Giardia lamblia Macrophage migration inhibitory factor 0.3731 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0317 0.0575 0.0575
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.3731 1 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.3731 1 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0427 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0218 0.0302 0.0302
Trypanosoma brucei C-8 sterol isomerase, putative 0.0427 0.0878 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.0586 0.0586
Leishmania major C-8 sterol isomerase-like protein 0.0427 0.0878 0.0878
Mycobacterium ulcerans 6-phosphofructokinase 0.0108 0 0.5
Plasmodium falciparum macrophage migration inhibitory factor 0.3731 1 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1592 0.4094 0.4094
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0108 0 0.5
Brugia malayi Trypsin family protein 0.0321 0.0586 0.0586
Plasmodium vivax macrophage migration inhibitory factor, putative 0.3731 1 0.5
Echinococcus granulosus 6 phosphofructokinase 0.0108 0 0.5
Onchocerca volvulus 0.0964 0.2362 1
Leishmania major macrophage migration inhibitory factor-like protein 0.3731 1 1

Activities

Activity type Activity value Assay description Source Reference
AUC o (ADMET) = 12.5 uM hr Area under the plasma concentration-time curve of the compound in rats after oral administration at 20 mg/kg ChEMBL. 15027850
C1 (functional) = 13 ml min-1 kg-1 Plasma clearance of the compound after intravenous administration at 5 mg/kg in rats ChEMBL. 15027850
Cmax (functional) = 2.5 uM Maximum plasma concentration of the compound in rats after oral administration at 20 mg/kg ChEMBL. 15027850
EC50 (functional) = 1.2 nM Inhibition of hepatitis C virus in a cell based HCV replicon assay. ChEMBL. 15027850
EC50 (functional) = 1.2 nM Antiviral activity against HCV replicon ChEMBL. 18375121
EC50 (functional) = 3 nM Antiviral activity against Hepatitis C virus infected human hepatoma cells by replicon assay ChEMBL. 18194867
F (functional) = 42 % Bioavailability in rat (dose 5 mg/kg i.v.) ChEMBL. 15027850
IC50 (binding) = 0.8 nM Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay ChEMBL. 25155387
IC50 (binding) = 3 nM Inhibitory concentration against hepatitis C virus NS3 protease ChEMBL. 15027850
IC50 (binding) = 3 nM Inhibition of HCV NS3-4A protease ChEMBL. 18375121
IC50 (binding) = 3 uM Inhibitory concentration of the compound against hepatitis C virus NS3 protease ChEMBL. 15633995
Ki (binding) = 0.3 nM Inhibition of HCV 1a NS3 protease ChEMBL. 17113777
Ki (binding) = 0.3 nM Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay ChEMBL. 25456385
Ki (binding) = 0.66 nM Inhibition of HCV NS3 protease by FRET assay ChEMBL. 18194867
PPB (ADMET) = 99.1 % Protein binding in human plasma ChEMBL. 21381769
T1/2 (ADMET) = 1.3 hr Half-life period of the compound in rats after intravenous administration at 5 mg/kg ChEMBL. 15027850
Vss (ADMET) = 1 l kg-1 Vss of the compound was determined ChEMBL. 15027850

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

3 literature references were collected for this gene.

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