Detailed information for compound 314087

Basic information

Technical information
  • TDR Targets ID: 314087
  • Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl] -2-(4-methylphenyl)indole-6-carboxylic acid
  • MW: 418.528 | Formula: C26H30N2O3
  • H donors: 1 H acceptors: 3 LogP: 5.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1c(C2CCCCC2)c2c(n1CC(=O)N(C)C)cc(cc2)C(=O)O
  • InChi: 1S/C26H30N2O3/c1-17-9-11-19(12-10-17)25-24(18-7-5-4-6-8-18)21-14-13-20(26(30)31)15-22(21)28(25)16-23(29)27(2)3/h9-15,18H,4-8,16H2,1-3H3,(H,30,31)
  • InChiKey: SXCZQGQKPFLBQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(p-tolyl)indole-6-carboxylic acid
  • 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(p-tolyl)-6-indolecarboxylic acid
  • 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(4-methylphenyl)indole-6-carboxylic acid
  • 3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]-2-(p-tolyl)indole-6-carboxylic acid
  • 3-cyclohexyl-1-(2-dimethylamino-2-oxoethyl)-2-(4-methylphenyl)indole-6-carboxylic acid
  • 3-cyclohexyl-1-(2-dimethylamino-2-oxo-ethyl)-2-(4-methylphenyl)indole-6-carboxylic acid
  • 3-cyclohexyl-1-(2-dimethylamino-2-oxoethyl)-2-(4-methylphenyl)-6-indolecarboxylic acid
  • 3-cyclohexyl-1-(2-dimethylamino-2-keto-ethyl)-2-(4-methylphenyl)indole-6-carboxylic acid
  • 1H-Indole-6-carboxylic acid, 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylphenyl)-
  • AIDS-227978
  • AIDS227978

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
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, 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
Entamoeba histolytica DNA repair and recombination protein, 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
Echinococcus multilocularis ATP dependent DNA helicase PIF1 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
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
Trypanosoma congolense DNA repair and recombination protein, mitochondrial precursor, 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
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
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 braziliensis PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, 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 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 DNA repair and recombination helicase protein PIF6 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
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
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 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 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 congolense 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
Giardia lamblia Rrm3p helicase 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
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
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0142 0.283 0.2877
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0167 0.3471 0.3516
Onchocerca volvulus 0.0034 0.002 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0142 0.283 0.2863
Trypanosoma cruzi major cysteine proteinase, putative 0.0067 0.0895 0.0892
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.2804 0.279
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0413 0.9837 0.9836
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.0154 0.0391
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0052 0.0494 0.1375
Loa Loa (eye worm) hypothetical protein 0.0142 0.283 0.2877
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0494 0.0476
Giardia lamblia Cathepsin B precursor 0.0141 0.2804 0.8068
Brugia malayi Cathepsin L-like precursor 0.0052 0.0494 0.0483
Brugia malayi cathepsin L-like precursor 0.0039 0.0154 0.0137
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0052 0.0494 0.0503
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0494 0.1425
Brugia malayi Cathepsin L-like precursor 0.0052 0.0494 0.0483
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0167 0.3471 0.3516
Brugia malayi cathepsin B-like cysteine proteinase 0.0413 0.9837 1
Loa Loa (eye worm) aspartyl protease 6 0.0034 0.002 0.002
Brugia malayi Cathepsin L-like precursor 0.0039 0.0154 0.0137
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0413 0.9837 0.9836
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0142 0.283 0.8143
Plasmodium vivax thioredoxin reductase, putative 0.0061 0.0729 0.2054
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0141 0.2804 0.8068
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0494 0.1377
Brugia malayi hypothetical protein 0.0215 0.4713 0.4781
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0167 0.3471 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0167 0.3471 1
Loa Loa (eye worm) fibroinase 0.0052 0.0494 0.0503
Plasmodium vivax glutathione reductase, putative 0.0061 0.0729 0.2054
Brugia malayi Cathepsin L-like cysteine proteinase 0.0039 0.0154 0.0137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0167 0.3471 0.3516
Leishmania major eukaryotic initiation factor 4a, putative 0.0167 0.3471 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0061 0.0729 0.0723
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0167 0.3471 0.3516
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0141 0.2804 0.8068
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Onchocerca volvulus 0.0052 0.0494 0.1425
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0167 0.3471 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0142 0.283 0.2863
Loa Loa (eye worm) hypothetical protein 0.0047 0.036 0.0366
Treponema pallidum ATP-dependent RNA helicase 0.0167 0.3471 0.5
Onchocerca volvulus 0.0052 0.0494 0.1425
Echinococcus granulosus calpain A 0.0055 0.0577 0.0568
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0413 0.9837 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.0577 0.0559
Giardia lamblia Cathepsin B precursor 0.0141 0.2804 0.8068
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0154 0.0391
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Plasmodium falciparum glutathione reductase 0.0061 0.0729 0.2054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Echinococcus granulosus cathepsin l1 0.0039 0.0154 0.0138
Trypanosoma cruzi cysteine peptidase, putative 0.01 0.1734 0.1747
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Onchocerca volvulus 0.0052 0.0494 0.1425
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Loa Loa (eye worm) ctsf protein 0.0052 0.0494 0.0503
Plasmodium falciparum cysteine proteinase falcipain 3 0.0052 0.0494 0.1375
Leishmania major eukaryotic initiation factor 4a, putative 0.0167 0.3471 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0055 0.0577 0.0568
Loa Loa (eye worm) hypothetical protein 0.0167 0.3471 0.3528
Echinococcus granulosus tachykinin peptides receptor 99D 0.0294 0.6748 0.6854
Brugia malayi sulfakinin receptor protein 0.0215 0.4713 0.4781
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Leishmania major cathepsin L-like protease 0.0052 0.0494 0.1377
Plasmodium falciparum eukaryotic initiation factor 4A 0.0167 0.3471 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0154 0.0391
Leishmania major cathepsin L-like protease 0.01 0.1734 0.4969
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0034 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0215 0.4713 0.4791
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Onchocerca volvulus 0.0052 0.0494 0.1425
Loa Loa (eye worm) hypothetical protein 0.0039 0.0154 0.0157
Brugia malayi Cathepsin L-like precursor 0.0039 0.0154 0.0137
Loa Loa (eye worm) hypothetical protein 0.0034 0.002 0.002
Onchocerca volvulus 0.0034 0.002 0.0058
Schistosoma mansoni cathepsin F (C01 family) 0.0039 0.0154 0.0135
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Loa Loa (eye worm) cysteine protease 0.0052 0.0494 0.0503
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Plasmodium falciparum plasmepsin I 0.0142 0.283 0.8143
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0167 0.3471 1
Brugia malayi Thioredoxin reductase 0.0061 0.0729 0.0722
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0167 0.3471 1
Trypanosoma cruzi cruzipain precursor, putative 0.01 0.1734 0.1747
Echinococcus multilocularis cysteine protease 0.0052 0.0494 0.0484
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0494 0.0476
Trypanosoma cruzi trypanothione reductase, putative 0.0061 0.0729 0.0723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Echinococcus multilocularis cathepsin b 0.0413 0.9837 1
Brugia malayi eukaryotic initiation factor 4A 0.0167 0.3471 0.3515
Schistosoma mansoni cathepsin D (A01 family) 0.0419 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Leishmania major cathepsin L-like protease 0.0052 0.0494 0.1377
Loa Loa (eye worm) hypothetical protein 0.0039 0.0155 0.0157
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.0515 0.0497
Trypanosoma cruzi cysteine peptidase, putative 0.01 0.1734 0.1747
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0494 0.1377
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0087 0.1394 0.14
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0167 0.3471 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0061 0.0729 0.0723
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.0494 0.0483
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Echinococcus multilocularis calpain A 0.0055 0.0577 0.0568
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0494 0.1377
Plasmodium vivax plasmepsin IV, putative 0.0142 0.283 0.8143
Echinococcus multilocularis cathepsin b 0.0413 0.9837 1
Leishmania major cysteine peptidase A (CPA) 0.0052 0.0494 0.1377
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0167 0.3471 1
Plasmodium falciparum thioredoxin reductase 0.0061 0.0729 0.2054
Loa Loa (eye worm) hypothetical protein 0.0034 0.002 0.002
Plasmodium vivax vivapain-2 0.0052 0.0494 0.1375
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Loa Loa (eye worm) cathepsin B 0.0141 0.2804 0.2851
Plasmodium falciparum plasmepsin VI 0.0142 0.283 0.8143
Loa Loa (eye worm) hypothetical protein 0.0053 0.0515 0.0523
Plasmodium vivax RNA helicase-1, putative 0.0167 0.3471 1
Loa Loa (eye worm) calpain family protein 1 0.0039 0.0155 0.0157
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Leishmania major cathepsin L-like protease 0.0052 0.0494 0.1377
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0142 0.283 0.8143
Toxoplasma gondii cathepsin CPL 0.0052 0.0494 0.1375
Onchocerca volvulus Cathepsin F homolog 0.0052 0.0494 0.1425
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Brugia malayi glutathione reductase 0.0061 0.0729 0.0722
Giardia lamblia Cathepsin B precursor 0.0141 0.2804 0.8068
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0494 0.0484
Loa Loa (eye worm) thioredoxin reductase 0.0061 0.0729 0.0741
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Plasmodium falciparum plasmepsin IV 0.0142 0.283 0.8143
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0494 0.0484
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0494 0.1377
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Echinococcus granulosus cathepsin l cysteine peptidase 0.0052 0.0494 0.0484
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Onchocerca volvulus 0.0052 0.0494 0.1425
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Leishmania major cathepsin L-like protease 0.01 0.1734 0.4969
Loa Loa (eye worm) glutathione reductase 0.0061 0.0729 0.0741
Echinococcus granulosus cathepsin l1 0.0052 0.0494 0.0484
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0494 0.0484
Onchocerca volvulus 0.0039 0.0154 0.0444
Echinococcus granulosus eukaryotic initiation factor 4A 0.0167 0.3471 0.3516
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.0494 0.0503
Brugia malayi calpain family protein 1 0.0053 0.0515 0.0504
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0052 0.0494 0.1375
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Loa Loa (eye worm) hypothetical protein 0.0052 0.0494 0.0503
Onchocerca volvulus 0.0052 0.0494 0.1425
Leishmania major cathepsin L-like protease 0.0052 0.0494 0.1377
Leishmania major cathepsin L-like protease 0.01 0.1734 0.4969
Echinococcus granulosus cathepsin L cysteine proteinase 0.0052 0.0494 0.0484
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0167 0.3471 0.3516
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0494 0.0484
Brugia malayi calpain family protein 1 0.0053 0.0515 0.0504
Trypanosoma brucei cysteine peptidase C (CPC) 0.0141 0.2804 0.8068
Toxoplasma gondii cathepsin B 0.0141 0.2804 0.8067
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0142 0.283 0.2816
Leishmania major cathepsin L-like protease 0.0052 0.0494 0.1377
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0167 0.3471 0.3458
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0167 0.3471 1
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0494 0.1425
Plasmodium vivax aspartyl proteinase, putative 0.0142 0.283 0.8143
Loa Loa (eye worm) hypothetical protein 0.0039 0.0154 0.0157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Plasmodium falciparum plasmepsin II 0.0142 0.283 0.8143
Loa Loa (eye worm) calpain family protein 1 0.0053 0.0515 0.0523
Toxoplasma gondii aspartyl protease ASP1 0.0142 0.283 0.8143
Schistosoma mansoni memapsin-2 (A01 family) 0.0034 0.002 0.0001
Brugia malayi Cathepsin L-like precursor 0.0052 0.0494 0.0483
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0413 0.9837 0.9836
Loa Loa (eye worm) hypothetical protein 0.0413 0.9837 1
Echinococcus granulosus cathepsin b 0.0413 0.9837 1
Leishmania major trypanothione reductase 0.0061 0.0729 0.2057
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0494 0.1377
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0034 0.002 0.0001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0294 0.6748 0.6854
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0494 0.0484
Echinococcus granulosus cathepsin b 0.0413 0.9837 1
Onchocerca volvulus 0.0052 0.0494 0.1425
Brugia malayi Cathepsin L-like precursor 0.0052 0.0494 0.0483
Trypanosoma cruzi cysteine peptidase, putative 0.01 0.1734 0.1747
Brugia malayi Cathepsin L-like precursor 0.0052 0.0494 0.0483
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.0155 0.0138
Entamoeba histolytica cysteine protease, putative 0.0052 0.0494 0.1377
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0141 0.2804 0.2837
Loa Loa (eye worm) hypothetical protein 0.0039 0.0154 0.0157
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0413 0.9837 0.9836
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0055 0.0577 0.0568
Plasmodium vivax vivapain-2 0.0052 0.0494 0.1375
Brugia malayi Cathepsin L-like precursor 0.0052 0.0494 0.0483
Trypanosoma brucei trypanothione reductase 0.0061 0.0729 0.2057
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0167 0.3471 0.3458
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969
Toxoplasma gondii thioredoxin reductase 0.0061 0.0729 0.2054
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.0577 0.0559
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0167 0.3471 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0494 0.1377
Echinococcus multilocularis cysteine protease 0.0052 0.0494 0.0484
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.1734 0.4969

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 50 uM Cytotoxic concentration of the compound against hepatitis C virus ChEMBL. 15743173
EC50 (binding) = 0.5 nM Effective concentration to inhibit the activity of RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1 ChEMBL. 15743173
EC50 (binding) = 0.5 nM Effective concentration to inhibit the activity of RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1 ChEMBL. 15743173
IC50 (binding) = 17 nM Inhibitory activity against RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1 ChEMBL. 15743173
IC50 (binding) = 17 nM Inhibitory activity against RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1 ChEMBL. 15743173

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

1 literature reference was collected for this gene.

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