Detailed information for compound 331699

Basic information

Technical information
  • TDR Targets ID: 331699
  • Name: 3-cyclohexyl-1-[2-(1,1-dioxo-1,4-thiazinan-4- yl)-2-oxoethyl]-2-phenylindole-6-carboxylic a cid
  • MW: 494.603 | Formula: C27H30N2O5S
  • H donors: 1 H acceptors: 5 LogP: 4.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCS(=O)(=O)CC1)Cn1c2cc(ccc2c(c1c1ccccc1)C1CCCCC1)C(=O)O
  • InChi: 1S/C27H30N2O5S/c30-24(28-13-15-35(33,34)16-14-28)18-29-23-17-21(27(31)32)11-12-22(23)25(19-7-3-1-4-8-19)26(29)20-9-5-2-6-10-20/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16,18H2,(H,31,32)
  • InChiKey: OQGKJZJBMWKVHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-cyclohexyl-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
  • 3-cyclohexyl-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-2-phenyl-6-indolecarboxylic acid
  • 3-cyclohexyl-1-[2-(1,1-diketo-1,4-thiazinan-4-yl)-2-keto-ethyl]-2-phenyl-indole-6-carboxylic acid
  • 1H-Indole-6-carboxylic acid, 3-cyclohexyl-1-[2-(1,1-dioxido-4-thiomorpholinyl)-2-oxoethyl]-2-phenyl-
  • AIDS-335178
  • AIDS335178

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 congolense DNA repair and recombination helicase protein PIF6 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 infantum PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, 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
Entamoeba histolytica DNA repair and recombination protein, 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
Echinococcus granulosus 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
Candida albicans similar to PIF1 DNA helicase 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 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 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 multilocularis ATP dependent DNA helicase PIF1 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
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 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
Entamoeba histolytica hypothetical protein, conserved 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
Trichomonas vaginalis conserved hypothetical protein 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
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
Leishmania donovani PIF1 helicase-like protein, 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
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
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 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 protein, mitochondrial precursor, 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
Brugia malayi Cathepsin L-like precursor 0.0176 0.143 0.143
Loa Loa (eye worm) calpain 0.009 0.0467 0.0467
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0176 0.143 0.143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Trypanosoma cruzi kinesin, putative 0.0063 0.0164 0.0155
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0623 0.1543
Schistosoma mansoni cathepsin C 0.0055 0.0074 0.0074
Schistosoma mansoni cathepsin F (C01 family) 0.0176 0.143 0.143
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0176 0.143 0.4419
Brugia malayi cathepsin L-like cysteine proteinase 0.0055 0.0074 0.0074
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.094 1 1
Schistosoma mansoni cathepsin s 0.0049 0.0009 0.0009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Echinococcus granulosus cathepsin l1 0.0176 0.143 0.143
Schistosoma mansoni calpain C (C02 family) 0.009 0.0467 0.0467
Echinococcus multilocularis cysteine protease 0.0176 0.143 0.143
Loa Loa (eye worm) calpain family protein 1 0.0175 0.1425 0.1425
Giardia lamblia Cathepsin B precursor 0.0328 0.3144 1
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0055 0.0074 0.0451
Loa Loa (eye worm) hypothetical protein 0.0049 0.0009 0.0009
Plasmodium falciparum cysteine proteinase falcipain 3 0.0176 0.143 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.009 0.0467 0.0458
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0049 0.0009 0.0009
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0055 0.0074 0.0074
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.1168 0.1168
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Plasmodium vivax serine-repeat antigen (SERA) 0.0055 0.0074 0.0451
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0176 0.143 0.143
Onchocerca volvulus Cathepsin L homolog 0.0176 0.143 1
Brugia malayi calpain 5 0.0063 0.0164 0.0164
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.0458
Brugia malayi cathepsin F-like cysteine proteinase 0.0055 0.0074 0.0074
Toxoplasma gondii cathepsin B 0.0328 0.3144 1
Echinococcus granulosus calpain 7 C02 family 0.009 0.0467 0.0467
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0328 0.3144 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0104 0.0623 0.0615
Onchocerca volvulus Cathepsin F homolog 0.0176 0.143 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0055 0.0074 0.0451
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0176 0.143 0.4419
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Brugia malayi Cathepsin L-like precursor 0.0049 0.0009 0.0009
Echinococcus granulosus cathepsin b 0.094 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0176 0.143 0.143
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Trypanosoma cruzi calpain cysteine peptidase, putative 0.009 0.0467 0.0458
Schistosoma mansoni cathepsin F (C01 family) 0.0127 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0238 0.2129 0.2129
Trypanosoma cruzi cysteine protease, putative 0.0104 0.0623 0.0615
Echinococcus granulosus cathepsin l cysteine peptidase 0.0176 0.143 0.143
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0055 0.0074 0.0074
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0176 0.143 0.143
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Trypanosoma brucei calpain-like protein, putative 0.009 0.0467 0.1016
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Giardia lamblia Cathepsin B precursor 0.0328 0.3144 1
Trypanosoma brucei antigen, putative 0.009 0.0467 0.1016
Onchocerca volvulus 0.0176 0.143 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0055 0.0074 0.0451
Entamoeba histolytica protein kinase, putative 0.0063 0.0164 0.0666
Brugia malayi cathepsin L-like precursor 0.0127 0.088 0.088
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Loa Loa (eye worm) hypothetical protein 0.0055 0.0074 0.0074
Trypanosoma cruzi cysteine proteinase, putative 0.0104 0.0623 0.0615
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.094 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0104 0.0623 0.0623
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.009 0.0467 0.0458
Entamoeba histolytica calpain large subunit domain III containing protein 0.0063 0.0164 0.0666
Loa Loa (eye worm) ctsf protein 0.0176 0.143 0.143
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0055 0.0074 0.0074
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Onchocerca volvulus 0.0148 0.1122 0.7731
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.094 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0176 0.143 0.1422
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.009 0.0467 0.0458
Plasmodium falciparum cysteine proteinase falcipain 1 0.0104 0.0623 0.4054
Loa Loa (eye worm) hypothetical protein 0.094 1 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.088 0.088
Echinococcus multilocularis cathepsin L cysteine protease 0.0176 0.143 0.143
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.1168 0.1168
Echinococcus granulosus calpain A 0.0249 0.225 0.225
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0055 0.0074 0.0451
Echinococcus granulosus cathepsin l1 0.0127 0.088 0.088
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0176 0.143 0.143
Brugia malayi Cathepsin L-like precursor 0.0176 0.143 0.143
Echinococcus granulosus calpain 0.009 0.0467 0.0467
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Loa Loa (eye worm) hypothetical protein 0.0152 0.1168 0.1168
Loa Loa (eye worm) hypothetical protein 0.0049 0.0009 0.0009
Brugia malayi Papain family cysteine protease containing protein 0.0104 0.0623 0.0623
Trypanosoma brucei calpain-like protein, putative 0.009 0.0467 0.1016
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0176 0.143 1
Schistosoma mansoni calpain-7 (C02 family) 0.009 0.0467 0.0467
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0055 0.0074 0.0074
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Onchocerca volvulus 0.0176 0.143 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0328 0.3144 1
Brugia malayi calpain family protein 1 0.0238 0.2129 0.2129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Entamoeba histolytica cysteine proteinase, putative 0.0104 0.0623 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0623 0.1791
Brugia malayi Cathepsin L-like precursor 0.0176 0.143 0.143
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.0074 0.0074
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.0458
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.009 0.0467 0.0458
Echinococcus multilocularis hypothetical protein 0.009 0.0467 0.0467
Onchocerca volvulus 0.0176 0.143 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0104 0.0627 0.0627
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Toxoplasma gondii cathepsin CPL 0.0176 0.143 0.4419
Loa Loa (eye worm) cysteine protease 0.0176 0.143 0.143
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.1016
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.0074 0.0064
Echinococcus multilocularis cathepsin L cysteine protease 0.0176 0.143 0.143
Trypanosoma brucei calpain-like protein, putative 0.009 0.0467 0.1016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0049 0.0009 0.0009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Trypanosoma cruzi kinesin, putative 0.0063 0.0164 0.0155
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0055 0.0074 0.0451
Trypanosoma cruzi cysteine peptidase, putative 0.0176 0.143 0.1422
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0055 0.0074 0.0451
Onchocerca volvulus 0.0176 0.143 1
Loa Loa (eye worm) calpain family protein 1 0.0238 0.2129 0.2129
Echinococcus granulosus cathepsin L 0.0104 0.0623 0.0623
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0055 0.0074 0.0074
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.0074 0.0074
Echinococcus multilocularis calpain 7 (C02 family) 0.009 0.0467 0.0467
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.0458
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.2158 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.0458
Loa Loa (eye worm) hypothetical protein 0.0176 0.143 0.143
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Trypanosoma brucei cysteine peptidase C (CPC) 0.0328 0.3144 1
Entamoeba histolytica cysteine proteinase, putative 0.0104 0.0623 0.4054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0127 0.088 0.0871
Brugia malayi Cathepsin L-like precursor 0.0127 0.088 0.088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Trypanosoma cruzi cysteine peptidase, putative 0.0104 0.0623 0.0615
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0127 0.088 0.2627
Plasmodium vivax unspecified product 0.0055 0.0074 0.0451
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0055 0.0074 0.0074
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0055 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0175 0.1425 0.1425
Onchocerca volvulus 0.0127 0.088 0.5946
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0055 0.0074 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0127 0.088 0.2627
Echinococcus granulosus cathepsin b 0.094 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0009 0.0009
Echinococcus multilocularis cathepsin b 0.094 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.009 0.0467 0.1016
Plasmodium vivax vivapain-1 0.0104 0.0623 0.4322
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0104 0.0623 0.1543
Echinococcus granulosus cathepsin L 0.0055 0.0074 0.0074
Schistosoma mansoni calpain-7 (C02 family) 0.009 0.0467 0.0467
Onchocerca volvulus 0.0176 0.143 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Loa Loa (eye worm) hypothetical protein 0.0127 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0127 0.088 0.088
Echinococcus multilocularis calpain 0.009 0.0467 0.0467
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Brugia malayi fibroinase precursor 0.0055 0.0074 0.0074
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0249 0.225 0.225
Schistosoma mansoni cathepsin F (C01 family) 0.0176 0.143 0.143
Brugia malayi Cathepsin L-like precursor 0.0176 0.143 0.143
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0249 0.225 0.225
Echinococcus multilocularis cathepsin L 0.0055 0.0074 0.0074
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Schistosoma mansoni cathepsin S (C01 family) 0.0055 0.0074 0.0074
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0848 0.8971 0.8971
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.1168 0.1168
Echinococcus granulosus calpain A 0.009 0.0467 0.0467
Brugia malayi Cathepsin L-like precursor 0.0176 0.143 0.143
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Giardia lamblia Cathepsin B precursor 0.0328 0.3144 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0127 0.088 0.088
Echinococcus granulosus cathepsin L cysteine protease 0.0104 0.0623 0.0623
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.1016
Entamoeba histolytica cysteine proteinase, putative 0.0104 0.0623 0.4054
Schistosoma mansoni cathepsin B (C01 family) 0.0055 0.0074 0.0074
Plasmodium vivax vivapain-3 0.0104 0.0623 0.4322
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0623 0.1791
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Loa Loa (eye worm) hypothetical protein 0.0055 0.0074 0.0074
Echinococcus multilocularis cathepsin L 0.0104 0.0623 0.0623
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0055 0.0074 0.0074
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.1016
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.0074 0.0074
Echinococcus multilocularis calpain 5 0.009 0.0467 0.0467
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0055 0.0074 0.0451
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.009 0.0467 0.0458
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0055 0.0074 0.0074
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.0074 0.0064
Entamoeba histolytica cysteine proteinase, putative 0.0176 0.143 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0049 0.0009 0.0009
Brugia malayi cathepsin L precursor 0.0055 0.0074 0.0074
Echinococcus granulosus cathepsin L cysteine proteinase 0.0176 0.143 0.143
Brugia malayi Cathepsin L-like precursor 0.0127 0.088 0.088
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Onchocerca volvulus Cathepsin L homolog 0.0176 0.143 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Schistosoma mansoni Mername-AA248 (C02 family) 0.009 0.0467 0.0467
Onchocerca volvulus 0.0176 0.143 1
Plasmodium vivax unspecified product 0.0104 0.0623 0.4322
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.094 1 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.1827 0.1827
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0055 0.0074 0.0451
Loa Loa (eye worm) fibroinase 0.0176 0.143 0.143
Brugia malayi Papain family cysteine protease containing protein 0.0104 0.0623 0.0623
Loa Loa (eye worm) calpain 5 0.0063 0.0164 0.0164
Onchocerca volvulus 0.0176 0.143 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0238 0.2129 0.2129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.0074 0.0074
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.0627 0.0627
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Brugia malayi cathepsin Z-like cysteine proteinase 0.0055 0.0074 0.0074
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0328 0.3144 0.3144
Entamoeba histolytica cysteine proteinase 2 0.0104 0.0623 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0176 0.143 1
Leishmania major cathepsin L-like protease 0.0176 0.143 0.425
Plasmodium vivax calpain, putative 0.009 0.0467 0.3218
Trypanosoma cruzi cruzipain precursor, putative 0.0176 0.143 0.1422
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Echinococcus multilocularis calpain family protein 1, d 0.0175 0.1425 0.1425
Schistosoma mansoni calpain (C02 family) 0.009 0.0467 0.0467
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0055 0.0074 0.0451
Loa Loa (eye worm) hypothetical protein 0.0055 0.0074 0.0074
Brugia malayi Papain family cysteine protease containing protein 0.0055 0.0074 0.0074
Brugia malayi calpain family protein 1 0.0238 0.2129 0.2129
Echinococcus multilocularis calpain A 0.0249 0.225 0.225
Trypanosoma cruzi cysteine peptidase, putative 0.0176 0.143 0.1422
Brugia malayi calpain 7 0.009 0.0467 0.0467
Loa Loa (eye worm) hypothetical protein 0.0104 0.0627 0.0627
Brugia malayi cathepsin Z-like cysteine proteinase 0.0055 0.0074 0.0074
Entamoeba histolytica cysteine protease, putative 0.0176 0.143 1
Trypanosoma cruzi cysteine proteinase, putative 0.0104 0.0623 0.0615
Entamoeba histolytica cysteine proteinase, putative 0.0104 0.0623 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0176 0.143 0.4419
Brugia malayi Papain family cysteine protease containing protein 0.0055 0.0074 0.0074
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Entamoeba histolytica cysteine proteinase 1, putative 0.0104 0.0623 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Echinococcus granulosus cysteine protease 0.0104 0.0623 0.0623
Echinococcus multilocularis cysteine protease 0.0176 0.143 0.143
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0104 0.0623 0.0623
Plasmodium vivax vivapain-2 0.0176 0.143 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0074 0.0074
Brugia malayi Cathepsin L-like precursor 0.0176 0.143 0.143
Leishmania major cysteine peptidase A (CPA) 0.0176 0.143 0.425
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0328 0.3144 0.3137
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0176 0.143 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0104 0.0623 0.0623
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.143 0.4419
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0249 0.225 0.225
Plasmodium vivax vivapain-2 0.0176 0.143 1
Trypanosoma cruzi cysteine peptidase, putative 0.0176 0.143 0.1422
Loa Loa (eye worm) hypothetical protein 0.0055 0.0074 0.0074
Echinococcus multilocularis cathepsin b 0.094 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1122 0.1122
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0055 0.0074 0.0451
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.094 1 1
Trypanosoma brucei calpain-like protein, putative 0.009 0.0467 0.1016
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0249 0.225 0.225
Entamoeba histolytica cysteine protease, putative 0.0104 0.0623 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0127 0.088 0.5946
Loa Loa (eye worm) hypothetical protein 0.0055 0.0074 0.0074
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.009 0.0467 0.1016
Echinococcus granulosus calpain 5 0.009 0.0467 0.0467
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.143 0.425
Loa Loa (eye worm) cathepsin B 0.0328 0.3144 0.3144

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.6 uM Effective concentration required to inhibit replication of subgenomic HCV RNA in HUH-7 cells ChEMBL. 15999993
EC50 (functional) = 1.6 uM Effective concentration required to inhibit replication of subgenomic HCV RNA in HUH-7 cells ChEMBL. 15999993
IC50 (binding) = 43 nM Inhibitory activity against by hepatitis C virus NS5B polymerase ChEMBL. 15999993
IC50 (binding) = 43 nM Inhibitory activity against by hepatitis C virus NS5B polymerase ChEMBL. 15999993

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15999993

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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