Detailed information for compound 260592

Basic information

Technical information
  • TDR Targets ID: 260592
  • Name: N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-3- cyclohexyl-1-oxopropan-2-yl]morpholine-4-carb oxamide
  • MW: 398.499 | Formula: C22H30N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@H](c1ccccc1)NC(=O)[C@@H](NC(=O)N1CCOCC1)CC1CCCCC1
  • InChi: 1S/C22H30N4O3/c23-16-20(18-9-5-2-6-10-18)24-21(27)19(15-17-7-3-1-4-8-17)25-22(28)26-11-13-29-14-12-26/h2,5-6,9-10,17,19-20H,1,3-4,7-8,11-15H2,(H,24,27)(H,25,28)/t19-,20+/m0/s1
  • InChiKey: RPEOGYHALGWHII-VQTJNVASSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1S)-2-[[(S)-cyano(phenyl)methyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
  • N-[(1S)-2-[[(S)-cyano(phenyl)methyl]amino]-1-(cyclohexylmethyl)-2-oxoethyl]-4-morpholinecarboxamide
  • N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-3-cyclohexyl-1-oxo-propan-2-yl]morpholine-4-carboxamide
  • N-[(1S)-2-[[(S)-cyano(phenyl)methyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]morpholine-4-carboxamide
  • N-[(2S)-1-[[(S)-cyano-phenylmethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
  • N-[(1S)-2-[[(S)-cyano-phenyl-methyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
  • N-[(1S)-2-[[(S)-cyano-phenylmethyl]amino]-1-(cyclohexylmethyl)-2-oxoethyl]-4-morpholinecarboxamide
  • N-[(1S)-2-[[(S)-cyano-phenyl-methyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]morpholine-4-carboxamide
  • N-[(2S)-1-[[(S)-cyano-phenyl-methyl]amino]-3-cyclohexyl-1-oxo-propan-2-yl]morpholine-4-carboxamide

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
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
Leishmania major 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-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
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
Schistosoma mansoni cathepsin F (C01 family) 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
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 L homolog 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 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
Leishmania major 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
Leishmania mexicana 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
Onchocerca volvulus 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
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
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 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
Leishmania infantum cathepsin L-like protease 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, cathepsin L-like cysteine peptidase 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
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Loa Loa (eye worm) 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
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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 berghei berghepain-2 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
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 cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
Echinococcus multilocularis cathepsin L cysteine 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
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
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
Echinococcus granulosus cathepsin L cysteine proteinase 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
Leishmania mexicana 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 yoelii berghepain-2 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
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
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
Theileria parva cysteine protease, 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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Schistosoma mansoni cathepsin F (C01 family) 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
Echinococcus granulosus cathepsin l1 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 Cathepsin L-like proteinase precursor, 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
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) 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
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL 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
Trypanosoma brucei 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) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 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
Theileria parva cysteine proteinase 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
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 congolense 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
Echinococcus multilocularis cathepsin l 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 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
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
Trypanosoma cruzi cruzipain precursor, 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
Loa Loa (eye worm) hypothetical 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
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
Cryptosporidium hominis cryptopain precursor 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
Onchocerca volvulus Cathepsin F homolog 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 cysteine peptidase A (CPA) 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 mexicana 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
Echinococcus granulosus cathepsin l cysteine peptidase 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
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
Echinococcus multilocularis cysteine protease 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
Loa Loa (eye worm) 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
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
Plasmodium knowlesi knowpain-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
Plasmodium knowlesi knowpain-3 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) fibroinase 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
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
Leishmania braziliensis 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
Trichomonas vaginalis Clan CA, family C1, papain-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 expressed protein 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, papain-like 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 mexicana cathepsin L-like protease, putative 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.1398 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0094 0.0094
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0094 0.0094
Entamoeba histolytica aldose reductase, putative 0.1398 1 1
Entamoeba histolytica aldose reductase, putative 0.1398 1 1
Leishmania major prostaglandin f synthase, putative 0.1398 1 1
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0094 0.0065
Schistosoma mansoni aldo-keto reductase 0.1398 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0405 0.2825 0.2825
Echinococcus granulosus aldo keto reductase 0.1398 1 1
Echinococcus multilocularis aldo keto reductase 0.1398 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0405 0.2825 1
Toxoplasma gondii aldose reductase, putative 0.1398 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0405 0.2825 0.2825
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Plasmodium vivax vivapain-2 0.0027 0.0094 0.0334
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus multilocularis aldehyde reductase 0.0993 0.7074 0.7074
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0094 0.0094
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0094 0.0094
Entamoeba histolytica aldose reductase, putative 0.1398 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0405 0.2825 1
Onchocerca volvulus 0.0027 0.0094 0.0065
Loa Loa (eye worm) ctsf protein 0.0027 0.0094 0.0065
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0094 0.0065
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0094 0.0094
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Onchocerca volvulus 0.1398 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0094 0.0094
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0405 0.2825 0.2825
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Trichomonas vaginalis aldo-keto reductase, putative 0.0405 0.2825 0.2825
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0094 0.0094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.0094 0.0065
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Echinococcus granulosus cathepsin l1 0.0018 0.003 0.003
Onchocerca volvulus 0.0027 0.0094 0.0065
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1398 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.0094 0.0334
Loa Loa (eye worm) fibroinase 0.0027 0.0094 0.0065
Leishmania major aldo-keto reductase-like protein 0.1398 1 1
Echinococcus granulosus aldehyde reductase 0.0993 0.7074 0.7074
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0405 0.2825 0.2757
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.0094 0.0094
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Echinococcus multilocularis aldo keto reductase 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Trypanosoma brucei aldo-keto reductase, putative 0.1398 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0405 0.2825 0.2825
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.0094 0.0065
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Schistosoma mansoni potassium channel beta 0.0405 0.2825 0.2825
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Plasmodium vivax aldehyde reductase, putative 0.0405 0.2825 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1398 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1398 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.003 0.003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0405 0.2825 0.2757
Onchocerca volvulus 0.0027 0.0094 0.0065
Entamoeba histolytica cysteine protease, putative 0.0027 0.0094 0.0094
Trypanosoma cruzi aldo-keto reductase 0.1398 1 1
Onchocerca volvulus 0.1398 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Echinococcus multilocularis aldo keto reductase 0.1398 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.003 0.003
Loa Loa (eye worm) oxidoreductase 0.1398 1 1
Echinococcus granulosus cathepsin l1 0.0027 0.0094 0.0094
Loa Loa (eye worm) oxidoreductase 0.1398 1 1
Echinococcus multilocularis aldo keto reductase 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Schistosoma mansoni pol-related 0.1398 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0094 0.0094
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0094 0.0094
Loa Loa (eye worm) oxidoreductase 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0094 0.0094
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1398 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus granulosus aldo keto reductase 0.1398 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.1398 1 1
Schistosoma mansoni aldo-keto reductase 0.1398 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0405 0.2825 0.2825
Trichomonas vaginalis conserved hypothetical protein 0.0405 0.2825 0.2825
Brugia malayi cathepsin L-like precursor 0.0018 0.003 0.003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0405 0.2825 0.2804
Echinococcus granulosus hypothetical protein 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.0094 0.0334
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Trypanosoma brucei aldo/keto reductase, putative 0.0405 0.2825 0.2825
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0405 0.2825 0.2825
Plasmodium vivax vivapain-2 0.0027 0.0094 0.0334
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Onchocerca volvulus 0.1398 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.0094 0.0094
Onchocerca volvulus 0.0027 0.0094 0.0065
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.003 0.003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.003 0.003
Entamoeba histolytica alcohol dehydrogenase, putative 0.0405 0.2825 0.2825
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Echinococcus granulosus aldo keto reductase 0.1398 1 1
Giardia lamblia Aldose reductase 0.1398 1 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0405 0.2825 0.2825
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1398 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1398 1 1
Onchocerca volvulus 0.0027 0.0094 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Trypanosoma cruzi aldo/keto reductase, putative 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Onchocerca volvulus 0.0405 0.2825 0.2804
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Brugia malayi Cathepsin L-like precursor 0.0018 0.003 0.003
Onchocerca volvulus 0.1398 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0094 0.0094
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0405 0.2825 0.2825
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0405 0.2825 0.2825
Loa Loa (eye worm) hypothetical protein 0.0027 0.0094 0.0065
Loa Loa (eye worm) oxidoreductase 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0094 0.0094
Onchocerca volvulus 0.0027 0.0094 0.0065
Brugia malayi Cathepsin L-like precursor 0.0027 0.0094 0.0094
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0018 0.003 0.003
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0405 0.2825 0.2757
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Onchocerca volvulus Cathepsin F homolog 0.0027 0.0094 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1398 1 1
Onchocerca volvulus 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Giardia lamblia Aldose reductase 0.1398 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0405 0.2825 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0018 0.003 0.003
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Loa Loa (eye worm) cysteine protease 0.0027 0.0094 0.0065
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1398 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0993 0.7074 0.5922
Trypanosoma brucei prostaglandin f synthase 0.1398 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0094 0.0094
Echinococcus multilocularis cysteine protease 0.0027 0.0094 0.0094
Toxoplasma gondii aldo-keto reductase 0.0405 0.2825 0.2757
Echinococcus multilocularis cysteine protease 0.0027 0.0094 0.0094
Loa Loa (eye worm) oxidoreductase 0.1398 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1398 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0094 0.0094
Mycobacterium ulcerans oxidoreductase 0.1398 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1398 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1398 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1398 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1398 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0094 0.0094
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.0094 0.0334
Onchocerca volvulus 0.0027 0.0094 0.0065
Onchocerca volvulus 0.1398 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1398 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0094 0.0094
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.003 0.003
Brugia malayi NADH-dependent xylose reductase 0.0405 0.2825 0.2825
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0094 0.0094
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1398 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9 nM Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus ChEMBL. 12459015
IC50 (binding) = 9 nM Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus ChEMBL. 12459015
Kd (binding) = 1 nM Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin S ChEMBL. 12459015
Kd (binding) = 1 nM Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin S ChEMBL. 12459015
p10 MIC (functional) = 100 nM MIC (minimum inhibitory concentration) of the compound at which P10 band (cathepsin S) can be detected ChEMBL. 12459015

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.