Detailed information for compound 444088

Basic information

Technical information
  • TDR Targets ID: 444088
  • Name: 1-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]- 3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phe nyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1- yl]propan-2-ol
  • MW: 636.128 | Formula: C30H33ClF3N5O3S
  • H donors: 2 H acceptors: 4 LogP: 4.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(Cn1nc(c2c1CCN(C2)S(=O)(=O)C)c1ccc(cc1)C(F)(F)F)CN1CCC(CC1)c1c[nH]c2c1cccc2Cl
  • InChi: 1S/C30H33ClF3N5O3S/c1-43(41,42)38-14-11-27-25(18-38)28(20-5-7-21(8-6-20)30(32,33)34)36-39(27)17-22(40)16-37-12-9-19(10-13-37)24-15-35-29-23(24)3-2-4-26(29)31/h2-8,15,19,22,35,40H,9-14,16-18H2,1H3
  • InChiKey: NZFCSAPTKKXGJD-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 1-[4-(7-chloro-1H-indol-3-yl)-1-piperidyl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
  • 1-[4-(7-chloro-1H-indol-3-yl)-1-piperidinyl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-propanol
  • 1-[4-(7-chloro-1H-indol-3-yl)piperidino]-3-[5-mesyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
  • 1-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]propan-2-ol
  • 1-[4-(7-chloro-1H-indol-3-yl)-1-piperidyl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]propan-2-ol
  • 1-[4-(7-chloro-1H-indol-3-yl)-1-piperidinyl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]propan-2-ol
  • 1-[4-(7-chloro-1H-indol-3-yl)-1-piperidyl]-3-[5-mesyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]propan-2-ol

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
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
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
Leishmania donovani 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
Trypanosoma congolense 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
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus 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
Plasmodium knowlesi knowpain-3 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
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative 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
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
Plasmodium falciparum cysteine proteinase falcipain 2b 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 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
Schistosoma mansoni cathepsin F (C01 family) 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
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
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
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
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
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
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
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
Brugia malayi Cathepsin L-like precursor 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
Brugia malayi cathepsin L-like precursor 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
Neospora caninum Cathepsin L, related 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
Onchocerca volvulus 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
Plasmodium vivax vivapain-2 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 or K-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
Trypanosoma congolense 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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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
Plasmodium knowlesi knowpain-4 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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, 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
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
Leishmania mexicana cathepsin L-like protease, 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, 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 brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
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
Trypanosoma cruzi cysteine peptidase, putative 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 cruzi cysteine peptidase, 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
Brugia malayi Papain family cysteine protease containing protein 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
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
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 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
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
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, 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) hypothetical protein 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
Brugia malayi Cathepsin L-like 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
Schistosoma mansoni cathepsin F (C01 family) 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 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) 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
Loa Loa (eye worm) fibroinase 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
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
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
Leishmania major cysteine peptidase A (CPA) 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
Entamoeba histolytica cysteine protease, putative 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 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
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
Plasmodium vivax vivapain-2 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 mexicana 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
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
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
Leishmania infantum cathepsin L-like protease 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 major cathepsin L-like protease 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
Echinococcus granulosus cathepsin L cysteine proteinase 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 or K-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 proteinase, putative 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
Trypanosoma brucei 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 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
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
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
Cryptosporidium hominis cryptopain 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 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
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
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
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
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
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
Schistosoma japonicum expressed 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 infantum cysteine peptidase A (CPA) 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Toxoplasma gondii FAD binding domain-containing protein 0.0066 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Echinococcus multilocularis cysteine protease 0.0027 0.2524 0.2524
Onchocerca volvulus Cathepsin L homolog 0.0027 0.2524 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.2524 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.2524 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.2524 0.1871
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Loa Loa (eye worm) hypothetical protein 0.0066 1 1
Trypanosoma cruzi Monooxygenase, putative 0.0066 1 1
Schistosoma mansoni monoxygenase 0.0066 1 1
Onchocerca volvulus 0.0027 0.2524 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.2524 0.2524
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Mycobacterium ulcerans hypothetical protein 0.0066 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0066 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.2524 1
Leishmania major hypothetical protein, conserved 0.0066 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.2524 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.2524 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0066 1 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.2524 0.2524
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.2524 0.2524
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0066 1 0.5
Brugia malayi cathepsin L-like precursor 0.0018 0.0803 0.3182
Mycobacterium tuberculosis Possible oxidoreductase 0.0066 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0066 1 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.2524 0.2524
Onchocerca volvulus 0.0027 0.2524 1
Mycobacterium ulcerans hypothetical protein 0.0066 1 0.5
Onchocerca volvulus Cathepsin F homolog 0.0027 0.2524 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0066 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.2524 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0803 0.0803
Brugia malayi Cathepsin L-like cysteine proteinase 0.0018 0.0803 0.3182
Plasmodium vivax vivapain-2 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0803 0.3182
Brugia malayi Cathepsin L-like precursor 0.0027 0.2524 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.2524 0.2524
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0018 0.0803 0.0803
Plasmodium vivax vivapain-2 0.0027 0.2524 0.2524
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.2524 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0066 1 0.5
Leishmania major hypothetical protein, conserved 0.0066 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.2524 0.2524
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Mycobacterium leprae possibleputative FAD-linked oxidoreductase 0.0066 1 0.5
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0066 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Loa Loa (eye worm) ctsf protein 0.0027 0.2524 0.1871
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.2524 0.2524
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.2524 0.1871
Brugia malayi Cathepsin L-like precursor 0.0018 0.0803 0.3182
Mycobacterium ulcerans oxidoreductase GMC-type 0.0066 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Echinococcus granulosus cathepsin l1 0.0018 0.0803 0.0803
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Entamoeba histolytica cysteine protease, putative 0.0027 0.2524 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0803 0.3182
Echinococcus multilocularis cysteine protease 0.0027 0.2524 0.2524
Schistosoma mansoni hypothetical protein 0.0066 1 1
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0066 1 0.5
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0066 1 1
Mycobacterium ulcerans oxidoreductase 0.0066 1 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.2524 1
Trypanosoma cruzi hypothetical protein, conserved 0.0066 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0066 1 0.5
Brugia malayi Cathepsin L-like precursor 0.0027 0.2524 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.2524 0.2524
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0066 1 1
Plasmodium vivax hypothetical protein, conserved 0.0066 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.2524 0.2524
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.2524 0.2524
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Onchocerca volvulus 0.0027 0.2524 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.2524 0.2524
Onchocerca volvulus 0.0027 0.2524 1
Loa Loa (eye worm) fibroinase 0.0027 0.2524 0.1871
Mycobacterium ulcerans hypothetical protein 0.0066 1 0.5
Onchocerca volvulus 0.0027 0.2524 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.2524 0.2524
Echinococcus granulosus cathepsin l1 0.0027 0.2524 0.2524
Onchocerca volvulus 0.0027 0.2524 1
Toxoplasma gondii FAD binding domain-containing protein 0.0066 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0803 0.3182
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.2524 0.2524
Mycobacterium tuberculosis Probable oxidoreductase 0.0066 1 0.5
Onchocerca volvulus 0.0027 0.2524 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.2524 0.2524
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.2524 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0803 0.3182
Loa Loa (eye worm) hypothetical protein 0.0027 0.2524 0.1871
Echinococcus granulosus protein MICAL 3 0.0066 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.2524 1
Trypanosoma brucei Monooxygenase, putative 0.0066 1 1
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0066 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.2524 1
Loa Loa (eye worm) cysteine protease 0.0027 0.2524 0.1871
Echinococcus multilocularis protein MICAL 3 0.0066 1 1
Mycobacterium ulcerans oxidoreductase 0.0066 1 0.5
Onchocerca volvulus Cathepsin L homolog 0.0027 0.2524 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 34 nM Inhibition of human cathepsin S ChEMBL. 17822900
IC50 (binding) = 34 nM Inhibition of human cathepsin S ChEMBL. 17822900

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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