Detailed information for compound 1332778

Basic information

Technical information
  • TDR Targets ID: 1332778
  • Name: 4-[[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl) sulfonylamino]methyl]-N-(2,5-dimethylphenyl)c yclohexane-1-carboxamide
  • MW: 497.65 | Formula: C27H35N3O4S
  • H donors: 2 H acceptors: 4 LogP: 3.74 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCC(CC1)CNS(=O)(=O)c1ccc2c(c1)CC(N2C(=O)C)C)Nc1cc(C)ccc1C
  • InChi: 1S/C27H35N3O4S/c1-17-5-6-18(2)25(13-17)29-27(32)22-9-7-21(8-10-22)16-28-35(33,34)24-11-12-26-23(15-24)14-19(3)30(26)20(4)31/h5-6,11-13,15,19,21-22,28H,7-10,14,16H2,1-4H3,(H,29,32)
  • InChiKey: BGTOVEGNZBOEFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(1-acetyl-2-methyl-indolin-5-yl)sulfonylamino]methyl]-N-(2,5-dimethylphenyl)cyclohexane-1-carboxamide
  • 4-[[(1-acetyl-2-methyl-5-indolinyl)sulfonylamino]methyl]-N-(2,5-dimethylphenyl)-1-cyclohexanecarboxamide
  • E589-2958
  • N-(2,5-dimethylphenyl)-4-[[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
  • NCGC00123092-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cruzipain precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) ctsf protein Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2a Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin L cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) fibroinase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2b Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 3 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin F homolog Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Neospora caninum Cathepsin L, related Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Brugia malayi Cathepsin L-like precursor 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Leishmania major macrophage migration inhibitory factor-like protein 0.018 0.2999 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.102 0.8941
Entamoeba histolytica cysteine protease, putative 0.002 0.0114 0.0017
Schistosoma mansoni ap endonuclease 0.002 0.0109 0.0514
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0077 0.1135 0.3551
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0109 0.0109
Loa Loa (eye worm) glutathione reductase 0.004 0.0474 0.1262
Leishmania major cathepsin L-like protease 0.002 0.0114 0.0381
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0588 0.2766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Brugia malayi Cathepsin L-like precursor 0.002 0.0114 0.0381
Leishmania major cathepsin L-like protease 0.002 0.0114 0.0381
Mycobacterium tuberculosis Urease beta subunit UreB (urea amidohydrolase) 0.027 0.4626 0.4626
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0588 0.1656
Leishmania major cathepsin L-like protease 0.0077 0.1141 0.3804
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0484 0.2275
Entamoeba histolytica hypothetical protein 0.0043 0.0534 0.1469
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0077 0.1135 0.3551
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0114 0.0537
Loa Loa (eye worm) macrophage migration inhibitory factor 0.018 0.2999 1
Echinococcus granulosus tar DNA binding protein 0.0131 0.2125 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0114 0.0381
Schistosoma mansoni hypothetical protein 0.0043 0.0534 0.2512
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Echinococcus multilocularis cysteine protease 0.002 0.0114 0.0537
Trypanosoma brucei trypanothione reductase 0.004 0.0474 0.4153
Brugia malayi RNA binding protein 0.0131 0.2125 0.7086
Leishmania major cysteine peptidase A (CPA) 0.002 0.0114 0.0381
Toxoplasma gondii cathepsin CPL 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Brugia malayi TAR-binding protein 0.0131 0.2125 0.7086
Plasmodium vivax glutathione reductase, putative 0.004 0.0474 0.158
Loa Loa (eye worm) hypothetical protein 0.016 0.2645 0.8776
Plasmodium falciparum glutathione reductase 0.004 0.0474 0.158
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.1587 0.1587
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.1587 0.1587
Brugia malayi glutathione reductase 0.004 0.0474 0.158
Plasmodium vivax macrophage migration inhibitory factor, putative 0.018 0.2999 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0588 0.2766
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0588 0.2766
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0109 0.0364
Echinococcus multilocularis cysteine protease 0.002 0.0114 0.0537
Plasmodium vivax vivapain-2 0.002 0.0114 0.0381
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0109 0.0364
Schistosoma mansoni ap endonuclease 0.002 0.0109 0.0514
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.018 0.2999 1
Plasmodium falciparum macrophage migration inhibitory factor 0.018 0.2999 1
Entamoeba histolytica hypothetical protein 0.0043 0.0534 0.1469
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0109 0.0514
Loa Loa (eye worm) ctsf protein 0.002 0.0114 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0588 0.2766
Brugia malayi hypothetical protein 0.016 0.2645 0.8821
Giardia lamblia Macrophage migration inhibitory factor 0.018 0.2999 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0109 0.0364
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2125 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.1587 0.1587
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2125 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0109 0.0364
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0114 0.0381
Leishmania major cathepsin L-like protease 0.0077 0.1141 0.3804
Brugia malayi Cathepsin L-like precursor 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2125 1
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0474 0.4153
Leishmania major macrophage migration inhibitory factor-like protein 0.018 0.2999 1
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0114 0.0381
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0114 0.0017
Loa Loa (eye worm) RNA binding protein 0.0131 0.2125 0.6976
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0534 0.2512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.0843 0.7388
Mycobacterium ulcerans urease subunit gamma 0.027 0.4626 0.4626
Brugia malayi hypothetical protein 0.0043 0.0534 0.178
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Echinococcus granulosus cathepsin l1 0.002 0.0114 0.0537
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0114 0.0537
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0109 0.0364
Leishmania major cathepsin L-like protease 0.0077 0.1141 0.3804
Brugia malayi Thioredoxin reductase 0.004 0.0474 0.158
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0114 0.0537
Mycobacterium ulcerans urease subunit alpha 0.0567 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0588 0.2766
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Mycobacterium tuberculosis Probable reductase 0.0092 0.1403 0.1403
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.1141 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1141 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0109 0.0957
Brugia malayi Bm-MIF-1, identical 0.018 0.2999 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0534 0.2512
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0017
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.1403 0.1403
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0114 0.0537
Brugia malayi Cathepsin L-like precursor 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Loa Loa (eye worm) cysteine protease 0.002 0.0114 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Toxoplasma gondii thioredoxin reductase 0.004 0.0474 0.158
Plasmodium vivax vivapain-2 0.002 0.0114 0.0381
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0474 0.1262
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.1403 0.1403
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0109 0.0109
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.2125 0.6976
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0114 0.0537
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0109 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0484 0.2275
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2125 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0109 0.0514
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0474 0.0474
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.1403 0.1403
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Plasmodium falciparum thioredoxin reductase 0.004 0.0474 0.158
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.018 0.2999 1
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.2125 0.7086
Loa Loa (eye worm) fibroinase 0.002 0.0114 0.0017
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0109 0.0957
Entamoeba histolytica hypothetical protein 0.0043 0.0534 0.1469
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0588 0.2766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0114 0.0537
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.0114 0.0381
Mycobacterium ulcerans urease subunit beta UreB 0.027 0.4626 0.4626
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0114 0.1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.1403 0.1403
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2125 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0534 0.2512
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1141 1
Loa Loa (eye worm) TAR-binding protein 0.0131 0.2125 0.6976
Leishmania major cathepsin L-like protease 0.002 0.0114 0.0381
Leishmania major trypanothione reductase 0.004 0.0474 0.158
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0109 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0114 0.0381
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0109 0.0364
Trichomonas vaginalis conserved hypothetical protein 0.018 0.2999 1
Toxoplasma gondii exonuclease III APE 0.002 0.0109 0.0364
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0109 0.0957
Onchocerca volvulus 0.016 0.2645 1
Echinococcus multilocularis tar DNA binding protein 0.0131 0.2125 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0109 0.0364
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0114 0.0381
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1141 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0114 0.0537
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0114 0.0017
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0114 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0114 0.0537
Entamoeba histolytica hypothetical protein 0.0043 0.0534 0.1469
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.018 0.2999 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0114 0.0381
Mycobacterium tuberculosis Urease gamma subunit UreA (urea amidohydrolase) 0.027 0.4626 0.4626
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.1403 0.1403
Leishmania major cathepsin L-like protease 0.002 0.0114 0.0381
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0588 0.196
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0474 0.158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0588 0.2766
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0114 0.0381
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.1587 1
Leishmania major cathepsin L-like protease 0.002 0.0114 0.0381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0114 0.0381
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0114 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1141 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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