Detailed information for compound 1251482

Basic information

Technical information
  • TDR Targets ID: 1251482
  • Name: 4-(3-hydroxypropyl)-6-[3-(trifluoromethyl)phe nyl]pyrimidine-2-carbonitrile
  • MW: 307.27 | Formula: C15H12F3N3O
  • H donors: 1 H acceptors: 4 LogP: 2.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCc1nc(C#N)nc(c1)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C15H12F3N3O/c16-15(17,18)11-4-1-3-10(7-11)13-8-12(5-2-6-22)20-14(9-19)21-13/h1,3-4,7-8,22H,2,5-6H2
  • InChiKey: JPCVMZOWQLMUNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-hydroxypropyl)-6-[3-(trifluoromethyl)phenyl]-2-pyrimidinecarbonitrile

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
Leishmania major 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
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, 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
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
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 major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative 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 cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 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
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 brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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
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
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
Leishmania donovani cysteine peptidase A (CBA) 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
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 or K-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 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
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 Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
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 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, 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
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
Echinococcus multilocularis cathepsin L 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
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 major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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
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
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
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 infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-2 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, 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
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
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
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
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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin F homolog 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
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin L cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
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
Loa Loa (eye worm) hypothetical 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 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
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
Leishmania mexicana 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
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
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
Plasmodium knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], 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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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
Onchocerca volvulus 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
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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
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
Plasmodium falciparum cysteine proteinase falcipain 3 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
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
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
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
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
Onchocerca volvulus 0.0027 0.0134 0.0123
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0773 0.0768
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0134 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Schistosoma mansoni transcription factor LCR-F1 0.0311 0.401 0.4441
Echinococcus multilocularis microtubule associated protein 2 0.0677 0.9015 0.9055
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0773 0.0845
Mycobacterium leprae Probable lipase LipE 0.0074 0.0773 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Onchocerca volvulus 0.0027 0.0134 0.0123
Brugia malayi MH1 domain containing protein 0.0028 0.0151 0.0139
Schistosoma mansoni hypothetical protein 0.0064 0.0645 0.0703
Entamoeba histolytica hypothetical protein 0.0311 0.401 1
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Loa Loa (eye worm) hypothetical protein 0.0023 0.0079 0.0079
Brugia malayi Cathepsin L-like precursor 0.0027 0.0134 0.0122
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0094 0.1045 0.0981
Schistosoma mansoni smad 0.0051 0.0463 0.0501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0773 0.0768
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0203 0.2544 0.2544
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0134 0.0123
Brugia malayi beta-lactamase family protein 0.0074 0.0773 0.0762
Echinococcus granulosus microtubule associated protein 2 0.0677 0.9015 0.9062
Leishmania major cysteine peptidase A (CPA) 0.0027 0.0134 0.0787
Loa Loa (eye worm) hypothetical protein 0.0027 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0074 0.0773 0.0773
Loa Loa (eye worm) fibroinase 0.0027 0.0134 0.0134
Schistosoma mansoni smad 0.0023 0.0077 0.0072
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0773 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0079 0.1027
Brugia malayi beta-lactamase family protein 0.0074 0.0773 0.0762
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0134 0.0135
Echinococcus multilocularis tumor protein p63 0.0745 0.9947 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0094 0.1045 0.0981
Loa Loa (eye worm) hypothetical protein 0.0074 0.0773 0.0773
Onchocerca volvulus 0.0074 0.0773 0.0768
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0773 0.1246
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0773 0.0768
Schistosoma mansoni Smad4 0.0051 0.0463 0.0501
Schistosoma mansoni hypothetical protein 0.0139 0.1665 0.1836
Onchocerca volvulus 0.0027 0.0134 0.0123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0773 0.0845
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0012
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Leishmania major hypothetical protein, conserved 0.0074 0.0773 1
Echinococcus multilocularis cysteine protease 0.0027 0.0134 0.0058
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.0134 0.1601
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0079 0.1027
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0645 0.0637
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0773 1
Plasmodium vivax vivapain-2 0.0027 0.0134 0.1281
Loa Loa (eye worm) hypothetical protein 0.0109 0.1256 0.1256
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.0134 0.0134
Mycobacterium ulcerans lipase LipD 0.0074 0.0773 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0134 0.0122
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0079 0.0168
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.1045 0.1148
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0773 0.7392
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0079 0.0128
Trichomonas vaginalis set domain proteins, putative 0.0743 0.9922 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0773 0.1246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Loa Loa (eye worm) nuclear factor I 0.0028 0.0151 0.0151
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0311 0.401 0.3985
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0203 0.2544 0.2535
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0653 0.8689 0.8689
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0134 0.0058
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0134 0.0305
Brugia malayi beta-lactamase 0.0074 0.0773 0.0762
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.2935 0.2895
Brugia malayi Cathepsin L-like precursor 0.0027 0.0134 0.0122
Loa Loa (eye worm) MH2 domain-containing protein 0.0023 0.0077 0.0077
Plasmodium vivax vivapain-2 0.0027 0.0134 0.1281
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Loa Loa (eye worm) hypothetical protein 0.0064 0.0645 0.0645
Toxoplasma gondii ABC1 family protein 0.0074 0.0773 0.7009
Loa Loa (eye worm) MH1 domain-containing protein 0.0051 0.0463 0.0463
Echinococcus granulosus TGF beta signal transducer SmadC 0.0051 0.0463 0.0454
Schistosoma mansoni smad1 5 8 and 0.0051 0.0463 0.0501
Loa Loa (eye worm) hypothetical protein 0.0203 0.2544 0.2544
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0773 0.1246
Loa Loa (eye worm) hypothetical protein 0.0074 0.0773 0.0773
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0773 1
Echinococcus granulosus Smad4 0.0051 0.0463 0.0454
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0773 0.1246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0645 0.0575
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0079 0.0067
Loa Loa (eye worm) hypothetical protein 0.0094 0.1045 0.1045
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0051 0.0463 0.0391
Onchocerca volvulus 0.0109 0.1256 0.1255
Echinococcus multilocularis mothers against decapentaplegic 5 0.0051 0.0463 0.0391
Echinococcus granulosus tumor protein p63 0.0745 0.9947 1
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0134 0.1601
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0773 0.1246
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.0134 1
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0773 0.1246
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0134 0.1601
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Onchocerca volvulus 0.0027 0.0134 0.0123
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.0134 0.0123
Schistosoma mansoni cellular tumor antigen P53 0.0109 0.1256 0.1381
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0134 0.1601
Echinococcus granulosus smad 0.0051 0.0463 0.0454
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0203 0.2544 0.2535
Onchocerca volvulus Cathepsin F homolog 0.0027 0.0134 0.0123
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0023 0.0077 0.0066
Mycobacterium tuberculosis Conserved protein 0.0074 0.0773 0.1246
Loa Loa (eye worm) hypothetical protein 0.0074 0.0773 0.0773
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0412 0.04
Onchocerca volvulus 0.0027 0.0134 0.0123
Mycobacterium ulcerans hypothetical protein 0.0023 0.0079 0.1027
Schistosoma mansoni hypothetical protein 0.0064 0.0645 0.0703
Loa Loa (eye worm) MH1 domain-containing protein 0.0023 0.0077 0.0077
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0311 0.401 0.4024
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Brugia malayi latrophilin 2 splice variant baaae 0.0139 0.1665 0.1655
Echinococcus multilocularis smad 0.0051 0.0463 0.0391
Brugia malayi MH1 domain containing protein 0.0051 0.0463 0.0451
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0645 0.0575
Schistosoma mansoni Smad4 0.0023 0.0077 0.0072
Entamoeba histolytica hypothetical protein 0.0311 0.401 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0079 0.0079
Brugia malayi MH1 domain containing protein 0.0051 0.0463 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus granulosus mothers against decapentaplegic 6 0.0023 0.0077 0.0065
Loa Loa (eye worm) transcription factor SMAD2 0.0749 1 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0023 0.0077 0.0065
Brugia malayi MH1 domain containing protein 0.0028 0.0151 0.0139
Echinococcus multilocularis Smad4 0.0051 0.0463 0.0391
Echinococcus multilocularis GPCR, family 2 0.0064 0.0645 0.0575
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0773 1
Loa Loa (eye worm) cysteine protease 0.0027 0.0134 0.0134
Loa Loa (eye worm) MH2 domain-containing protein 0.0749 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0773 0.0773
Echinococcus granulosus cathepsin l1 0.0027 0.0134 0.0123
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0773 0.0705
Schistosoma mansoni hypothetical protein 0.0311 0.401 0.4441
Loa Loa (eye worm) hypothetical protein 0.0023 0.0079 0.0079
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0134 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus granulosus histone lysine methyltransferase setb 0.0094 0.1045 0.104
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0773 0.1246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Brugia malayi Cathepsin L-like precursor 0.0027 0.0134 0.0122
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0012
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0079 0.1027
Loa Loa (eye worm) hypothetical protein 0.0232 0.2935 0.2935
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0079 0.1027
Mycobacterium ulcerans hypothetical protein 0.0074 0.0773 1
Plasmodium vivax SET domain protein, putative 0.0094 0.1045 1
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0134 0.0305
Entamoeba histolytica hypothetical protein 0.0311 0.401 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0412 0.0444
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0645 0.0645
Brugia malayi hypothetical protein 0.0232 0.2935 0.2926
Brugia malayi MH2 domain containing protein 0.0051 0.0463 0.0451
Brugia malayi Pre-SET motif family protein 0.0653 0.8689 0.8688
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0094 0.1045 1
Onchocerca volvulus 0.0023 0.0079 0.0068
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.0077
Onchocerca volvulus 0.0094 0.1045 0.1043
Schistosoma mansoni Smad4 0.0023 0.0077 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0773 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0645 0.0637
Onchocerca volvulus 0.0074 0.0773 0.0768
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0134 0.0058
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.0134 0.0134
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.0134 1
Onchocerca volvulus 0.0027 0.0134 0.0123
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0773 0.0762
Schistosoma mansoni microtubule-associated protein tau 0.0677 0.9015 1
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0773 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0079 0.0168
Schistosoma mansoni smad1 5 8 and 0.0051 0.0463 0.0501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0645 0.0633
Loa Loa (eye worm) hypothetical protein 0.0028 0.0151 0.0151
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0134 0.0135
Schistosoma mansoni hypothetical protein 0.0064 0.0645 0.0703
Brugia malayi MH2 domain containing protein 0.0051 0.0463 0.0451
Loa Loa (eye worm) beta-lactamase 0.0074 0.0773 0.0773
Onchocerca volvulus 0.0027 0.0134 0.0123
Trichomonas vaginalis esterase, putative 0.0074 0.0773 0.0768
Mycobacterium tuberculosis Conserved protein 0.0074 0.0773 0.1246
Echinococcus granulosus mothers against decapentaplegic 5 0.0051 0.0463 0.0454
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0773 0.0768
Onchocerca volvulus 0.0074 0.0773 0.0768
Brugia malayi MH2 domain containing protein 0.0023 0.0077 0.0065
Brugia malayi Cathepsin L-like precursor 0.0027 0.0134 0.0122
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0079 0.0067
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0645 0.0633
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.2935 0.2942
Loa Loa (eye worm) hypothetical protein 0.0139 0.1665 0.1665
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.0134 0.0123
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0134 0.0123
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0134 0.0123
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0012
Brugia malayi Cathepsin L-like precursor 0.0027 0.0134 0.0122
Loa Loa (eye worm) MH2 domain-containing protein 0.0051 0.0463 0.0463
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0773 0.0766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0134 0.0123
Brugia malayi hypothetical protein 0.0311 0.401 0.4003
Onchocerca volvulus 0.0743 0.9922 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0471 0.6201 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0134 0.1601
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.1045 0.1148
Mycobacterium ulcerans beta-lactamase 0.0074 0.0773 1
Loa Loa (eye worm) ctsf protein 0.0027 0.0134 0.0134
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0079 0.0067
Schistosoma mansoni hypothetical protein 0.0064 0.0645 0.0703
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0773 0.0768
Entamoeba histolytica hypothetical protein 0.0311 0.401 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.0134 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.1045 0.1148
Echinococcus granulosus GPCR family 2 0.0064 0.0645 0.0637
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0079 0.1027
Mycobacterium tuberculosis Conserved protein 0.0074 0.0773 0.1246
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.0074 0.0773 0.0773
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0134 0.0123
Schistosoma mansoni hypothetical protein 0.0047 0.0412 0.0444
Echinococcus granulosus mothers against decapentaplegic 2 0.0023 0.0077 0.0065
Onchocerca volvulus 0.0047 0.0412 0.0403
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0051 0.0463 0.0501
Echinococcus multilocularis cysteine protease 0.0027 0.0134 0.0058
Entamoeba histolytica cysteine protease, putative 0.0027 0.0134 0.0305
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0079 0.1027
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0134 0.0122
Leishmania major cathepsin L-like protease 0.0027 0.0134 0.0787
Brugia malayi Pre-SET motif family protein 0.0094 0.1045 0.1035
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0079 0.0128
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0094 0.1045 0.1148
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0079 0.1027
Brugia malayi Smad1 0.0051 0.0463 0.0451
Loa Loa (eye worm) Smad1 0.0051 0.0463 0.0463
Schistosoma mansoni smad1 5 8 and 0.0051 0.0463 0.0501
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.009 0.0998 0.0993
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0079 0.0168

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM Inhibition of human recombinant cathepsin K using Z-Phe-Arg-MCA substrate by fluorimetric assay ChEMBL. 20843687
Ki (binding) = 31 uM Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cells ChEMBL. 20843687
Papp (ADMET) < 20 nm/s Apparent permeability from apical to basolateral side in human Caco-2 cells ChEMBL. 20843687

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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