Detailed information for compound 345059

Basic information

Technical information
  • TDR Targets ID: 345059
  • Name: N-[(2S)-3-(3-chlorophenyl)-1-[2-(4-methoxyani lino)ethylamino]-1-oxopropan-2-yl]-3-methylbe nzamide
  • MW: 465.972 | Formula: C26H28ClN3O3
  • H donors: 3 H acceptors: 2 LogP: 5.18 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NCCNC(=O)[C@@H](NC(=O)c1cccc(c1)C)Cc1cccc(c1)Cl
  • InChi: 1S/C26H28ClN3O3/c1-18-5-3-7-20(15-18)25(31)30-24(17-19-6-4-8-21(27)16-19)26(32)29-14-13-28-22-9-11-23(33-2)12-10-22/h3-12,15-16,24,28H,13-14,17H2,1-2H3,(H,29,32)(H,30,31)/t24-/m0/s1
  • InChiKey: JRASGERRYJAWSH-DEOSSOPVSA-N  


Substructure search Similarity search

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Synonyms

  • N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyanilino)ethylamino]-2-oxo-ethyl]-3-methyl-benzamide
  • N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyanilino)ethylamino]-2-oxoethyl]-3-methylbenzamide
  • N-[(2S)-3-(3-chlorophenyl)-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxo-propan-2-yl]-3-methyl-benzamide
  • N-[(1S)-1-(3-chlorobenzyl)-2-keto-2-[2-(p-anisidino)ethylamino]ethyl]-3-methyl-benzamide
  • N-[(2S)-3-(3-chlorophenyl)-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
  • N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[2-[(4-methoxyphenyl)amino]ethylamino]-2-oxo-ethyl]-3-methyl-benzamide
  • N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[2-[(4-methoxyphenyl)amino]ethylamino]-2-oxoethyl]-3-methylbenzamide
  • N-[(1S)-1-(3-chlorobenzyl)-2-keto-2-[2-[(4-methoxyphenyl)amino]ethylamino]ethyl]-3-methyl-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin S Starlite/ChEMBL References
Homo sapiens cathepsin L Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani cysteine peptidase A (CBA) 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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Leishmania major cathepsin L-like protease 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
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 cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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
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 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
Brugia malayi Cathepsin L-like precursor 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
Loa Loa (eye worm) hypothetical protein 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
Entamoeba histolytica cysteine proteinase, 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 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
Leishmania braziliensis cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-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
Leishmania major cathepsin L-like protease 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 brucei 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
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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Schistosoma mansoni cathepsin F (C01 family) 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
Theileria parva cysteine protease, 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 major 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 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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 major cathepsin L-like protease 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
Echinococcus granulosus cathepsin l1 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
Leishmania infantum cathepsin L-like 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
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
Plasmodium knowlesi knowpain-3 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
Echinococcus multilocularis cathepsin L cysteine 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
Onchocerca volvulus 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
Brugia malayi Cathepsin L-like precursor 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
Leishmania major cathepsin L-like protease 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 mexicana cathepsin L-like protease, putative 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
Entamoeba histolytica cysteine protease, putative 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
Onchocerca volvulus Cathepsin F homolog Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 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
Plasmodium falciparum cysteine proteinase falcipain 2b 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
Echinococcus multilocularis cathepsin l 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
Plasmodium falciparum cysteine proteinase falcipain 2a 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
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
Echinococcus granulosus cathepsin l1 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
Leishmania mexicana 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
Trypanosoma cruzi cysteine peptidase, 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
Leishmania infantum cysteine peptidase A (CPA) 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
Onchocerca volvulus 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-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 cysteine peptidase A (CBA) 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 mexicana 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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva 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
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
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 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 congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
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
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 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease 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
Loa Loa (eye worm) papain family cysteine protease containing 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
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative 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
Trypanosoma cruzi cysteine peptidase, 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
Echinococcus granulosus cathepsin L cysteine proteinase 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
Schistosoma mansoni cathepsin F (C01 family) 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 braziliensis cathepsin L-like protease 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
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
Leishmania major 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
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-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 cruzi cysteine peptidase, putative 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
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
Echinococcus multilocularis cysteine protease 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 multilocularis cathepsin L cysteine 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
Schistosoma japonicum expressed 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
Theileria parva cysteine proteinase, 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
Brugia malayi Papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin S 281 aa 226 aa 34.1 %
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin L 333 aa 359 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Brugia malayi cathepsin L-like precursor 0.0036 0.0799 0.0799
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0062 0.3308 0.3308
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0132 1 1
Onchocerca volvulus 0.0132 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0062 0.3308 0.3308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi Nuclear hormone receptor E75 0.0062 0.3308 0.3308
Brugia malayi nuclear hormone receptor 0.0062 0.3308 0.3308
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0062 0.3308 0.3308
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0132 1 1
Brugia malayi conserved hypotetical protein 0.0062 0.3308 0.3308
Loa Loa (eye worm) nuclear hormone receptor 0.0062 0.3308 0.2727
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0036 0.0799 0.3182
Loa Loa (eye worm) cysteine protease 0.0054 0.2511 0.186
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0062 0.3308 0.2727
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0132 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi nuclear receptor RXR 0.0062 0.3308 0.3308
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0132 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0132 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0062 0.3308 0.2727
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0132 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0062 0.3308 0.3308
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.2511 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.007 0.4025 0.4025
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0132 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0062 0.3308 0.3308
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Echinococcus granulosus cathepsin l1 0.0036 0.0799 0.0799
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0132 1 1
Loa Loa (eye worm) DR-78 0.0062 0.3308 0.2727
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0132 1 1
Loa Loa (eye worm) fibroinase 0.0054 0.2511 0.186
Onchocerca volvulus Cathepsin L homolog 0.0054 0.2511 0.186
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Brugia malayi Cathepsin L-like precursor 0.0036 0.0799 0.0799
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0062 0.3308 0.3308
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.2511 1
Brugia malayi hypothetical protein 0.007 0.4025 0.4025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0132 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0054 0.2511 1
Loa Loa (eye worm) hypothetical protein 0.007 0.4025 0.3506
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 1 1
Onchocerca volvulus 0.0054 0.2511 0.186
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0132 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.0799 0.3182
Schistosoma mansoni zinc finger protein 0.0062 0.3308 0.3308
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Plasmodium falciparum cysteine proteinase falcipain 3 0.0054 0.2511 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0132 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Onchocerca volvulus 0.0054 0.2511 0.186
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0132 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0054 0.2511 0.186
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0132 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0132 1 1
Echinococcus granulosus cathepsin l1 0.0054 0.2511 0.2511
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.4025 0.3506
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0054 0.2511 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.007 0.4025 0.4025
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0132 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.2511 1
Schistosoma mansoni nuclear hormone receptor 0.0132 1 1
Schistosoma mansoni nuclear hormone receptor 0.0062 0.3308 0.3308
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0132 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.007 0.4025 0.3506
Loa Loa (eye worm) hypothetical protein 0.007 0.4025 0.3506
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 0.2511 0.2511
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0132 1 1
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Brugia malayi Cathepsin L-like precursor 0.0054 0.2511 0.2511
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.2511 0.186
Entamoeba histolytica cysteine proteinase, putative 0.0054 0.2511 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Onchocerca volvulus Bile acid receptor homolog 0.0132 1 1
Onchocerca volvulus 0.0054 0.2511 0.186
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0062 0.3308 0.3308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0062 0.3308 0.2727
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 0.2511 0.2511
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0132 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.4025 0.4025
Schistosoma mansoni nuclear receptor 0.0062 0.3308 0.3308
Loa Loa (eye worm) steroid hormone receptor 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Entamoeba histolytica cysteine protease, putative 0.0054 0.2511 1
Brugia malayi ecdysone receptor 0.0062 0.3308 0.3308
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0062 0.3308 0.3308
Brugia malayi hypothetical protein 0.0062 0.3308 0.3308
Onchocerca volvulus 0.0062 0.3308 0.2727
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0132 1 1
Brugia malayi nuclear receptor RXR 0.007 0.4025 0.4025
Echinococcus multilocularis cysteine protease 0.0054 0.2511 0.2511
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0132 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0132 1 1
Onchocerca volvulus 0.0054 0.2511 0.186
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.0799 0.0799
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Schistosoma mansoni nuclear receptor nhr-48 0.0062 0.3308 0.3308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Schistosoma mansoni retinoic acid receptor RXR 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Echinococcus granulosus FTZ F1 alpha 0.0132 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0132 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0132 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0062 0.3308 0.3308
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 0.2511 0.2511
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Schistosoma mansoni nuclear hormone receptor 0.0062 0.3308 0.3308
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi nuclear receptor NHR-88 0.0062 0.3308 0.3308
Brugia malayi tailless protein 0.0062 0.3308 0.3308
Echinococcus granulosus cathepsin l cysteine peptidase 0.0054 0.2511 0.2511
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0062 0.3308 0.3308
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0132 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0062 0.3308 0.3308
Echinococcus multilocularis FTZ F1 alpha 0.0132 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0062 0.3308 0.3308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Brugia malayi Cathepsin L-like precursor 0.0054 0.2511 0.2511
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0132 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 0.2511 0.2511
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Onchocerca volvulus Cathepsin L homolog 0.0054 0.2511 0.186
Brugia malayi nuclear hormone receptor family member nhr-6 0.0062 0.3308 0.3308
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 0.2511 0.2511
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0799 0.3182
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Brugia malayi Papain family cysteine protease containing protein 0.0054 0.2511 0.2511
Schistosoma mansoni thyroid hormone receptor 0.0132 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0132 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0062 0.3308 0.3308
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Brugia malayi Steroid receptor seven-up type 2 0.0132 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 0.2511 0.2511
Onchocerca volvulus 0.0054 0.2511 0.186
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.007 0.4025 0.4025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi nuclear receptor NHR-88 0.0132 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0062 0.3308 0.2727
Plasmodium vivax vivapain-2 0.0054 0.2511 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0132 1 1
Loa Loa (eye worm) ctsf protein 0.0054 0.2511 0.186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0132 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0132 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0132 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0054 0.2511 0.2511
Onchocerca volvulus Cathepsin F homolog 0.0054 0.2511 0.186
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0132 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 0.2511 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0132 1 1
Brugia malayi steroid hormone receptor 0.0132 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0062 0.3308 0.3308
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0132 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0132 1 1
Brugia malayi hypothetical protein 0.0062 0.3308 0.3308
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Echinococcus multilocularis cysteine protease 0.0054 0.2511 0.2511
Loa Loa (eye worm) hypothetical protein 0.007 0.4025 0.3506
Loa Loa (eye worm) hypothetical protein 0.0062 0.3308 0.2727
Onchocerca volvulus 0.0062 0.3308 0.2727
Brugia malayi hypothetical protein 0.007 0.4025 0.4025
Loa Loa (eye worm) hypothetical protein 0.007 0.4025 0.3506
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0132 1 1
Toxoplasma gondii cathepsin CPL 0.0054 0.2511 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Onchocerca volvulus 0.0054 0.2511 0.186
Onchocerca volvulus 0.0054 0.2511 0.186
Brugia malayi nuclear receptor NHR-67 0.0062 0.3308 0.3308
Brugia malayi Cathepsin L-like precursor 0.0036 0.0799 0.0799
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.2511 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0054 0.2511 0.186
Schistosoma mansoni RAR-like nuclear receptor 0.0132 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0062 0.3308 0.3308
Brugia malayi Cathepsin L-like precursor 0.0054 0.2511 0.2511
Leishmania major cysteine peptidase A (CPA) 0.0054 0.2511 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0054 0.2511 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 0.2511 0.2511
Plasmodium vivax vivapain-2 0.0054 0.2511 1
Schistosoma mansoni thyroid hormone receptor 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0036 0.0799 0.0799
Brugia malayi Nuclear hormone receptor E75 0.0062 0.3308 0.3308
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.007 0.4025 0.4025
Leishmania major cathepsin L-like protease 0.0054 0.2511 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.2511 1
Brugia malayi nuclear hormone receptor 0.0132 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0132 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.4025 0.4025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0132 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 0.2511 0.2511
Schistosoma mansoni nuclear receptor 0.0062 0.3308 0.3308
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0062 0.3308 0.3308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0799 0.3182
Schistosoma mansoni coup transcription factor 0.0132 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 0.2511 0.2511
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0062 0.3308 0.3308
Trypanosoma cruzi cruzipain precursor, putative 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.2511 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.5 nM Inhibitory concentration against recombinant human Cathepsin L at 37 degree C at pH 5.5 ChEMBL. 16183279
Ki (binding) = 1.5 nM Inhibitory concentration against recombinant human Cathepsin L at 37 degree C at pH 5.5 ChEMBL. 16183279
Ki (binding) = 33 nM Inhibitory concentration against recombinant human Cathepsin S at 37 degree C at pH 5.5 ChEMBL. 16183279
Ki (binding) = 33 nM Inhibitory concentration against recombinant human Cathepsin S at 37 degree C at pH 5.5 ChEMBL. 16183279
Ki (binding) > 100000 nM Inhibitory concentration against recombinant human Cathepsin K at 37 degree C at pH 5.5 ChEMBL. 16183279
Ki (binding) > 100000 nM Inhibitory concentration against recombinant human Cathepsin K at 37 degree C at pH 5.5 ChEMBL. 16183279

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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