Detailed information for compound 352310

Basic information

Technical information
  • TDR Targets ID: 352310
  • Name: (1R,2R)-2-[(3-chlorophenyl)sulfanylmethyl]-N- (cyanomethyl)cyclohexane-1-carboxamide
  • MW: 322.853 | Formula: C16H19ClN2OS
  • H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1cccc(c1)Cl
  • InChi: 1S/C16H19ClN2OS/c17-13-5-3-6-14(10-13)21-11-12-4-1-2-7-15(12)16(20)19-9-8-18/h3,5-6,10,12,15H,1-2,4,7,9,11H2,(H,19,20)/t12-,15+/m0/s1
  • InChiKey: TYFZAFFOCPEUIC-SWLSCSKDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,2R)-2-[(3-chlorophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide
  • (1R,2R)-2-[[(3-chlorophenyl)thio]methyl]-N-(cyanomethyl)cyclohexanecarboxamide
  • (1R,2R)-2-[[(3-chlorophenyl)thio]methyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide
  • (1R,2R)-2-[[(3-chlorophenyl)thio]methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Leishmania braziliensis cysteine peptidase A (CPA) 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
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
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
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
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
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
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 3 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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum Cathepsin L-like proteinase 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
Leishmania infantum cysteine peptidase A (CPA) 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-3 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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2a 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, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 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
Echinococcus granulosus cathepsin L cysteine proteinase 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
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 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
Onchocerca volvulus Cathepsin L homolog 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 cruzi cysteine peptidase, 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 protease, putative 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
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
Echinococcus multilocularis cathepsin L cysteine protease 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
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
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 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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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 cysteine protease 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
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
Entamoeba histolytica cysteine proteinase, 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin F homolog Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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 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
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
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
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
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
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, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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 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
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 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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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
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
Toxoplasma gondii cathepsin CPL 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 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
Schistosoma japonicum expressed protein 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
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
Plasmodium falciparum cysteine proteinase falcipain 2b 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 cruzi cruzipain precursor, 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
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
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
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
Onchocerca volvulus 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
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 brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
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
Plasmodium vivax vivapain-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
Trypanosoma brucei 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
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
Trypanosoma cruzi cysteine peptidase, 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 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 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 multilocularis cathepsin L cysteine protease 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0202 0.0263 0.0263
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Echinococcus granulosus selenide water dikinase 0.0113 0.0135 0.0149
Echinococcus granulosus cathepsin l cysteine peptidase 0.0054 0.0051 0.0046
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0036 0.0026 0.0012
Onchocerca volvulus 0.0054 0.0051 0.0052
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.0014 0.1206
Echinococcus granulosus cathepsin l1 0.0054 0.0051 0.0046
Loa Loa (eye worm) dihydrofolate reductase 0.337 0.4789 0.5898
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Loa Loa (eye worm) cysteine protease 0.0054 0.0051 0.0063
Brugia malayi Papain family cysteine protease containing protein 0.0028 0.0014 0.0006
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Echinococcus multilocularis dihydrofolate reductase 0.337 0.4789 0.5891
Echinococcus granulosus cathepsin l1 0.0036 0.0026 0.0015
Schistosoma mansoni methionyl-tRNA formyltransferase 0.0055 0.0052 0.0047
Plasmodium falciparum selenide water dikinase, putative 0.0113 0.0135 0.0135
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0202 0.0263 0.0314
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.337 0.4789 0.5898
Echinococcus multilocularis thymidylate synthase 0.57 0.812 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0202 0.0263 0.0308
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.7016 1 1
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Brugia malayi Cathepsin L-like cysteine proteinase 0.0036 0.0026 0.0021
Onchocerca volvulus 0.0036 0.0026 0.0021
Mycobacterium tuberculosis Probable formyltetrahydrofolate deformylase PurU (formyl-FH(4) hydrolase) 0.0055 0.0052 0.0064
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0202 0.0263 0.0308
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.0051 0.0037
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Schistosoma mansoni dihydrofolate reductase 0.337 0.4789 0.5891
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 0.0051 0.0046
Mycobacterium leprae PROBABLE THIAMINE-MONOPHOSPHATE KINASE THIL (THIAMINE-PHOSPHATE KINASE) 0.0068 0.0071 0.0076
Loa Loa (eye worm) hypothetical protein 0.0024 0.0009 0.0011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Entamoeba histolytica hypothetical protein 0.0037 0.0027 0.4211
Onchocerca volvulus 0.57 0.812 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Brugia malayi Cathepsin L-like precursor 0.0054 0.0051 0.0052
Onchocerca volvulus 0.0332 0.0449 0.0543
Trypanosoma cruzi folylpolyglutamate synthetase 0.0202 0.0263 0.025
Toxoplasma gondii selenide, water dikinase 0.0113 0.0135 0.0084
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0032
Schistosoma mansoni cathepsin F (C01 family) 0.0054 0.0051 0.0046
Leishmania major selenophosphate synthetase, putative 0.0113 0.0135 0.0126
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.57 0.812 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0054 0.0051 0.0051
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.2712 0.3849 0.3841
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.0014 0.1206
Chlamydia trachomatis dihydrofolate reductase 0.337 0.4789 1
Brugia malayi Cathepsin L-like precursor 0.0054 0.0051 0.0052
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Brugia malayi FolC bifunctional protein 0.0202 0.0263 0.0314
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0032
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0202 0.0263 0.0324
Echinococcus multilocularis cysteine protease 0.0054 0.0051 0.0046
Brugia malayi Cathepsin L-like precursor 0.0036 0.0026 0.0021
Mycobacterium ulcerans phosphoribosylglycinamide formyltransferase 0.0055 0.0052 0.0064
Mycobacterium ulcerans thymidylate synthase 0.57 0.812 1
Brugia malayi Cathepsin L-like precursor 0.0054 0.0051 0.0052
Brugia malayi Cathepsin L-like precursor 0.0054 0.0051 0.0052
Onchocerca volvulus Cathepsin L homolog 0.0054 0.0051 0.0052
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.1505 0.2125 0.2617
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0026 0.0031
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0202 0.0263 0.0263
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Onchocerca volvulus 0.0054 0.0051 0.0052
Loa Loa (eye worm) hypothetical protein 0.005 0.0046 0.0057
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Wolbachia endosymbiont of Brugia malayi phosphoribosylformylglycinamidine synthase domain-containing protein 0.0113 0.0135 0.0399
Leishmania major methionyl-tRNA formyltransferase, putative 0.0055 0.0052 0.0044
Mycobacterium leprae PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II) 0.0113 0.0135 0.0156
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0202 0.0263 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0028 0.0014 0.1206
Trypanosoma cruzi methionyl-tRNA formyltransferase, putative 0.0055 0.0052 0.0038
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0009 0.0011
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.022 0.0288 0.0355
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Trypanosoma brucei pteridine reductase 1 0.0197 0.0256 0.0242
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.0026 0.0015
Loa Loa (eye worm) thymidylate synthase 0.57 0.812 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.7016 1 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0202 0.0263 0.0308
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Chlamydia trachomatis methionyl tRNAformyltransferase 0.0055 0.0052 0.0109
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0009 0.0011
Onchocerca volvulus Cathepsin L homolog 0.0054 0.0051 0.0052
Loa Loa (eye worm) ctsf protein 0.0054 0.0051 0.0063
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0332 0.0449 0.0543
Mycobacterium ulcerans phosphoribosylformylglycinamidine synthase II 0.0113 0.0135 0.0166
Mycobacterium ulcerans methionyl-tRNA formyltransferase 0.0055 0.0052 0.0064
Echinococcus multilocularis tumor protein p63 0.0345 0.0467 0.0559
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.0051 0.0037
Trypanosoma cruzi methionyl-tRNA formyltransferase, putative 0.0055 0.0052 0.0038
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Entamoeba histolytica hypothetical protein 0.0037 0.0027 0.4211
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0202 0.0263 0.0324
Loa Loa (eye worm) hypothetical protein 0.0024 0.0009 0.0011
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0202 0.0263 0.0213
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Onchocerca volvulus 0.0054 0.0051 0.0052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0026 0.0031
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0054 0.0051 0.0051
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0054 0.0051 0.0063
Trypanosoma brucei Selenophosphate synthetase 2 0.0113 0.0135 0.0121
Plasmodium vivax vivapain-1 0.0028 0.0014 0.0014
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0009 0.0011
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0202 0.0263 0.025
Mycobacterium tuberculosis Conserved hypothetical protein 0.0055 0.0052 0.0064
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0009 0.0011
Plasmodium vivax methionyl-tRNA formyltransferase, putative 0.0055 0.0052 0.0052
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Trypanosoma cruzi cruzipain precursor, putative 0.0054 0.0051 0.0037
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Onchocerca volvulus 0.005 0.0046 0.0046
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0046 0.004
Echinococcus multilocularis microtubule associated protein 2 0.0704 0.098 0.1192
Brugia malayi Dihydrofolate reductase 0.337 0.4789 0.5894
Brugia malayi Cathepsin L-like precursor 0.0054 0.0051 0.0052
Plasmodium vivax vivapain-3 0.0028 0.0014 0.0014
Brugia malayi hypothetical protein 0.2712 0.3849 0.4735
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0027 0.0016
Plasmodium vivax unspecified product 0.0028 0.0014 0.0014
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Brugia malayi hypothetical protein 0.0037 0.0027 0.0022
Trypanosoma cruzi selenophosphate synthetase, putative 0.0113 0.0135 0.0121
Trichomonas vaginalis conserved hypothetical protein 0.2712 0.3849 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.57 0.812 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.0051 0.0037
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.57 0.812 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 0.0051 1
Plasmodium falciparum methionyl-tRNA formyltransferase, putative 0.0055 0.0052 0.0052
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0009 0.0011
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Echinococcus granulosus thymidylate synthase 0.57 0.812 1
Echinococcus multilocularis 0.0113 0.0135 0.0149
Loa Loa (eye worm) fibroinase 0.0054 0.0051 0.0063
Onchocerca volvulus 0.0045 0.0038 0.0037
Loa Loa (eye worm) FolC protein 0.0202 0.0263 0.0324
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0032
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0202 0.0263 0.0314
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0027 0.0016
Echinococcus granulosus cathepsin L cysteine proteinase 0.0054 0.0051 0.0046
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0332 0.0449 0.0553
Plasmodium falciparum cysteine proteinase falcipain 3 0.0054 0.0051 0.0051
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.337 0.4789 0.5894
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Toxoplasma gondii formyl transferase domain-containing protein 0.0055 0.0052 0.0001
Entamoeba histolytica cysteine proteinase, putative 0.0054 0.0051 1
Leishmania major folylpolyglutamate synthetase 0.0202 0.0263 0.0255
Brugia malayi Cathepsin L-like precursor 0.0054 0.0051 0.0052
Plasmodium vivax selenophosphate synthetase, putative 0.0113 0.0135 0.0135
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0009 0.0011
Schistosoma mansoni selinide water dikinase 0.0113 0.0135 0.0149
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.7016 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 0.0051 0.0046
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.7016 1 1
Echinococcus granulosus tumor protein p63 0.0345 0.0467 0.0559
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.337 0.4789 0.5898
Schistosoma mansoni microtubule-associated protein tau 0.0704 0.098 0.1192
Onchocerca volvulus 0.0265 0.0352 0.0424
Plasmodium vivax vivapain-2 0.0054 0.0051 0.0051
Entamoeba histolytica hypothetical protein 0.0037 0.0027 0.4211
Brugia malayi thymidylate synthase 0.57 0.812 1
Onchocerca volvulus 0.0054 0.0051 0.0052
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.0014 0.1206
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.0026 0.4004
Brugia malayi selenium donor protein 0.0113 0.0135 0.0156
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.0014 0.1206
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0202 0.0263 0.025
Onchocerca volvulus 0.0054 0.0051 0.0052
Mycobacterium tuberculosis Phosphoribosylformylglycinamidine synthase II PurL (FGAM synthase II) 0.0113 0.0135 0.0166
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0202 0.0263 0.0651
Mycobacterium ulcerans thiamine monophosphate kinase 0.0068 0.0071 0.0087
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.1505 0.2125 0.2609
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 0.0051 0.0046
Onchocerca volvulus Cathepsin F homolog 0.0054 0.0051 0.0052
Leishmania major cathepsin L-like protease 0.0054 0.0051 0.0043
Onchocerca volvulus 0.0054 0.0051 0.0052
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Loa Loa (eye worm) hypothetical protein 0.0024 0.0009 0.0011
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Schistosoma mansoni hypothetical protein 0.0037 0.0027 0.0016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.0051 0.0037
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0054 0.0051 0.0063
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Mycobacterium ulcerans hypothetical protein 0.0024 0.0009 0.0011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Brugia malayi cathepsin L-like precursor 0.0036 0.0026 0.0021
Leishmania major pteridine reductase 1 0.0199 0.0259 0.0251
Schistosoma mansoni folylpolyglutamate synthase 0.0202 0.0263 0.0308
Trypanosoma cruzi selenophosphate synthetase, putative 0.0113 0.0135 0.0121
Loa Loa (eye worm) selenium donor protein 0.0113 0.0135 0.0166
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Trypanosoma brucei methionyl-tRNA formyltransferase 0.0055 0.0052 0.0038
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Entamoeba histolytica cysteine proteinase 2 0.0028 0.0014 0.1206
Leishmania major cysteine peptidase A (CPA) 0.0054 0.0051 0.0043
Mycobacterium tuberculosis Hypothetical protein 0.2712 0.3849 0.4741
Schistosoma mansoni cathepsin F (C01 family) 0.0054 0.0051 0.0046
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Echinococcus granulosus microtubule associated protein 2 0.0704 0.098 0.1192
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0051 0.0037
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0202 0.0263 0.0308
Entamoeba histolytica cysteine protease, putative 0.0054 0.0051 1
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0051 0.0097
Echinococcus multilocularis cysteine protease 0.0054 0.0051 0.0046
Loa Loa (eye worm) hypothetical protein 0.0054 0.0051 0.0063
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 0.0051 0.0097
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0009 0.0011
Brugia malayi Papain family cysteine protease containing protein 0.0028 0.0014 0.0006
Onchocerca volvulus 0.0054 0.0051 0.0052
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.7016 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0027 0.0016
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0009 0.0011
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Brugia malayi dihydrofolate reductase family protein 0.337 0.4789 0.5894
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0332 0.0449 0.0553
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0009 0.0011
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 0.0051 0.0046
Plasmodium falciparum cysteine proteinase falcipain 1 0.0028 0.0014 0.0014
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 0.0051 0.0097
Brugia malayi Papain family cysteine protease containing protein 0.0054 0.0051 0.0052
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.1505 0.2125 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 0.0051 0.0097
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase 0.0332 0.0449 0.1914
Plasmodium vivax vivapain-2 0.0054 0.0051 0.0051
Entamoeba histolytica hypothetical protein 0.0037 0.0027 0.4211
Echinococcus granulosus dihydrofolate reductase 0.337 0.4789 0.5891
Entamoeba histolytica cysteine protease, putative 0.0028 0.0014 0.1206
Brugia malayi Cathepsin L-like precursor 0.0036 0.0026 0.0021

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 200 nM Inhibitory activity against humanized rabbit Cathepsin K ChEMBL. 16451072
IC50 (binding) = 200 nM Inhibitory activity against humanized rabbit Cathepsin K ChEMBL. 16451072

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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