Detailed information for compound 410961

Basic information

Technical information
  • TDR Targets ID: 410961
  • Name: 2-cyano-4-(cyclohexylamino)-N-[2-[4-(4-methyl piperazin-1-yl)phenyl]ethyl]pyrimidine-5-carb oxamide
  • MW: 447.576 | Formula: C25H33N7O
  • H donors: 2 H acceptors: 4 LogP: 4.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ncc(c(n1)NC1CCCCC1)C(=O)NCCc1ccc(cc1)N1CCN(CC1)C
  • InChi: 1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)
  • InChiKey: DNXUCHBIMIYWNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyano-4-(cyclohexylamino)-N-[2-[4-(4-methyl-1-piperazinyl)phenyl]ethyl]-5-pyrimidinecarboxamide
  • 2-cyano-4-(cyclohexylamino)-N-[2-[4-(4-methylpiperazino)phenyl]ethyl]pyrimidine-5-carboxamide

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
Homo sapiens cathepsin K Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) 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
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, 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
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
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
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 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
Theileria parva cysteine proteinase, 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
Echinococcus granulosus cathepsin L cysteine proteinase 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
Entamoeba histolytica cysteine proteinase, 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
Leishmania mexicana 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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
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
Brugia malayi Papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 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
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
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
Plasmodium falciparum cysteine proteinase falcipain 3 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
Leishmania major cathepsin L-like protease 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
Leishmania mexicana 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
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase 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
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 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
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
Plasmodium falciparum cysteine proteinase falcipain 2a Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
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
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein 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
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
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2b Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cruzipain precursor, 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
Brugia malayi Cathepsin L-like 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
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like cysteine proteinase 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania 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
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
Theileria parva cysteine protease, 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
Leishmania donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain 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
Leishmania infantum cysteine peptidase A (CPA) 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 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
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-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
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) ctsf protein Get druggable targets OG5_126607 All targets in OG5_126607
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
Plasmodium vivax vivapain-2 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
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
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
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
Onchocerca volvulus Cathepsin L homolog 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
Theileria parva 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
Trichomonas vaginalis Clan CA, family C1, papain-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
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, 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
Onchocerca volvulus 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 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
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
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 major cathepsin L-like protease 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 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
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 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 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 major 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
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
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 K 329 aa 349 aa 33.2 %
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin L 333 aa 359 aa 30.1 %
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
Plasmodium vivax vivapain-2 0.0081 0.2746 1
Schistosoma mansoni cathepsin F (C01 family) 0.0081 0.2746 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0054 0.0967 0.3033
Onchocerca volvulus 0.0081 0.2746 1
Onchocerca volvulus 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Schistosoma mansoni hypothetical protein 0.0043 0.024 0.0393
Schistosoma mansoni cathepsin F (C01 family) 0.0054 0.0967 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0043 0.024 0.5
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Loa Loa (eye worm) CYP4Cod1 0.0083 0.2875 0.2875
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Toxoplasma gondii cathepsin CPL 0.0081 0.2746 1
Leishmania major cytochrome p450-like protein 0.0083 0.2875 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Onchocerca volvulus Cathepsin L homolog 0.0081 0.2746 1
Trypanosoma cruzi cruzipain precursor, putative 0.0081 0.2746 0.9531
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0043 0.024 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0083 0.2875 0.2875
Brugia malayi Cytochrome P450 family protein 0.0043 0.024 0.0104
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Brugia malayi Cathepsin L-like precursor 0.0081 0.2746 0.2645
Echinococcus granulosus cytochrome P450 2K1 0.0043 0.024 0.0393
Onchocerca volvulus 0.0081 0.2746 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0081 0.2746 0.2746
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0043 0.024 0.5
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.2746 0.9531
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.2746 0.9531
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0081 0.2746 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0043 0.024 0.5
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0043 0.024 0.0375
Brugia malayi Cathepsin L-like precursor 0.0081 0.2746 0.2645
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0043 0.024 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Onchocerca volvulus 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0967 0.3182
Entamoeba histolytica cysteine proteinase, putative 0.0081 0.2746 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0081 0.2746 1
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.2746 0.9531
Echinococcus multilocularis cathepsin L cysteine protease 0.0081 0.2746 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0043 0.024 0.0375
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0043 0.024 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Loa Loa (eye worm) ctsf protein 0.0081 0.2746 0.2746
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.2746 0.9531
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0081 0.2746 1
Loa Loa (eye worm) cysteine protease 0.0081 0.2746 0.2746
Brugia malayi Papain family cysteine protease containing protein 0.0081 0.2746 0.2645
Loa Loa (eye worm) hypothetical protein 0.0081 0.2746 0.2746
Echinococcus multilocularis cathepsin L cysteine protease 0.0081 0.2746 1
Brugia malayi Cathepsin L-like precursor 0.0081 0.2746 0.2645
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Brugia malayi Cytochrome P450 family protein 0.0083 0.2875 0.2776
Trypanosoma brucei cytochrome P450, putative 0.0083 0.2875 1
Onchocerca volvulus 0.0081 0.2746 1
Onchocerca volvulus 0.0081 0.2746 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0043 0.024 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Brugia malayi Cytochrome P450 family protein 0.0083 0.2875 0.2776
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0043 0.024 0.0375
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Loa Loa (eye worm) hypothetical protein 0.0054 0.0967 0.0967
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0083 0.2875 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Echinococcus multilocularis cysteine protease 0.0081 0.2746 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0043 0.024 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0081 0.2746 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0043 0.024 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0043 0.024 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0043 0.024 0.5
Loa Loa (eye worm) cytochrome P450 0.0043 0.024 0.024
Echinococcus granulosus cathepsin l1 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0043 0.024 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0081 0.2746 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0043 0.024 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0083 0.2875 1
Onchocerca volvulus Cathepsin F homolog 0.0081 0.2746 1
Brugia malayi Cathepsin L-like precursor 0.0081 0.2746 0.2645
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0081 0.2746 1
Echinococcus multilocularis cysteine protease 0.0081 0.2746 1
Trypanosoma cruzi cytochrome P450, putative 0.0083 0.2875 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0967 0.0967
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Plasmodium vivax vivapain-2 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.2746 1
Onchocerca volvulus Cathepsin L homolog 0.0081 0.2746 1
Loa Loa (eye worm) fibroinase 0.0081 0.2746 0.2746
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Loa Loa (eye worm) cytochrome P450 family protein 0.0083 0.2875 0.2875
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0043 0.024 0.0375
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Mycobacterium leprae Conserved hypothetical protein 0.0043 0.024 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.0081 0.2746 1
Brugia malayi Cathepsin L-like precursor 0.0081 0.2746 0.2645
Echinococcus granulosus cathepsin l1 0.0054 0.0967 0.3182
Echinococcus granulosus cathepsin L cysteine proteinase 0.0081 0.2746 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0043 0.024 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0043 0.024 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0043 0.024 0.5
Brugia malayi Cathepsin L-like precursor 0.0054 0.0967 0.0842
Brugia malayi cathepsin L-like precursor 0.0054 0.0967 0.0842
Schistosoma mansoni cytochrome P450 0.0043 0.024 0.0393
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0043 0.024 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0043 0.024 0.5
Onchocerca volvulus 0.0081 0.2746 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0054 0.0967 0.0842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 0.0967 0.3182
Loa Loa (eye worm) cytochrome P450 family protein 0.019 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0043 0.024 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0081 0.2746 1
Brugia malayi Cathepsin L-like precursor 0.0081 0.2746 0.2645
Leishmania major cysteine peptidase A (CPA) 0.0081 0.2746 0.9513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.2746 0.9531
Entamoeba histolytica cysteine protease, putative 0.0081 0.2746 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0967 0.3182
Brugia malayi Cathepsin L-like precursor 0.0054 0.0967 0.0842
Echinococcus multilocularis 0.0043 0.024 0.0393
Loa Loa (eye worm) hypothetical protein 0.0054 0.0967 0.0967
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.2746 1
Leishmania major cathepsin L-like protease 0.0081 0.2746 0.9513
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0081 0.2746 0.2746
Mycobacterium leprae putative cytochrome p450 0.0043 0.024 0.5
Brugia malayi cytochrome P450 0.0043 0.024 0.0104
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0043 0.024 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.047 nM Inhibition of human recombinant cathepsin K ChEMBL. 17256925
IC50 (binding) = 0.047 nM Inhibition of human recombinant cathepsin K ChEMBL. 17256925
IC50 (binding) = 0.45 nM Inhibition of human recombinant cathepsin L ChEMBL. 17256925
IC50 (binding) = 0.45 nM Inhibition of human recombinant cathepsin L ChEMBL. 17256925
IC50 (binding) = 0.48 nM Inhibition of human recombinant cathepsin S ChEMBL. 17256925
IC50 (binding) = 0.48 nM Inhibition of human recombinant cathepsin S ChEMBL. 17256925

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.