Detailed information for compound 1444071

Basic information

Technical information
  • TDR Targets ID: 1444071
  • Name: 1-(4-methoxyphenyl)-4-[2-(2-methylphenyl)-4-p henylsulfonyl-1,3-oxazol-5-yl]piperazine
  • MW: 489.586 | Formula: C27H27N3O4S
  • H donors: 0 H acceptors: 3 LogP: 5.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccccc1)c1ccccc1C
  • InChi: 1S/C27H27N3O4S/c1-20-8-6-7-11-24(20)25-28-26(35(31,32)23-9-4-3-5-10-23)27(34-25)30-18-16-29(17-19-30)21-12-14-22(33-2)15-13-21/h3-15H,16-19H2,1-2H3
  • InChiKey: XXDSSGPZYUKAST-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 1-(4-methoxyphenyl)-4-[2-(2-methylphenyl)-4-phenylsulfonyl-oxazol-5-yl]piperazine
  • 1-(4-methoxyphenyl)-4-[2-(2-methylphenyl)-4-phenylsulfonyl-5-oxazolyl]piperazine
  • D072-0778
  • NCGC00115352-01
  • ZINC01052815

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No 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
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
Trypanosoma cruzi cruzipain precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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 vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) ctsf 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
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Leishmania major cathepsin L-like protease 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
Leishmania braziliensis 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
Theileria parva cysteine proteinase, 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus 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
Onchocerca volvulus 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 set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
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 protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Echinococcus multilocularis cathepsin L cysteine protease 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 multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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
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
Onchocerca volvulus Cathepsin L homolog 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 mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) 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
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
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii cathepsin CPL 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 granulosus cathepsin l1 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
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease 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
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva cysteine protease, 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
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) fibroinase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum cysteine proteinase falcipain 2a 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 cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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) hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Neospora caninum Cathepsin L, related Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l 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 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
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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain precursor Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) papain family cysteine protease containing 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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin F homolog Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus 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
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
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
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
Theileria parva cysteine 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
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 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
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
Leishmania major cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 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
Plasmodium falciparum cysteine proteinase falcipain 2b 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
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin F (C01 family) 0.0014 0.0134 0.0558
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.0021 0.0095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1695 0.703
Loa Loa (eye worm) cysteine protease 0.002 0.0376 0.0431
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0376 0.167
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0376 0.0431
Brugia malayi Cathepsin L-like precursor 0.0014 0.0134 0.0154
Leishmania major cathepsin L-like protease 0.0077 0.2433 1
Brugia malayi PHD-finger family protein 0.003 0.0733 0.0839
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.063 0.2794
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0376 0.0356
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4864 0.5563
Loa Loa (eye worm) fibroinase 0.002 0.0376 0.0431
Trypanosoma cruzi ISWI complex protein 0.0018 0.0313 0.121
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0021 0.0025
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2254 1
Leishmania major cathepsin L-like protease 0.0077 0.2433 1
Echinococcus multilocularis cathepsin L 0.001 0.0021 0.0095
Brugia malayi Cathepsin L-like precursor 0.002 0.0376 0.0431
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Brugia malayi Cathepsin L-like precursor 0.002 0.0376 0.0431
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0376 0.0431
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0546 0.0625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Brugia malayi Pre-SET motif family protein 0.0251 0.8743 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0021 0.0089
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1215 0.5391
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Echinococcus granulosus cathepsin L 0.001 0.0021 0.0095
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.039 0.1617
Onchocerca volvulus 0.002 0.0376 0.0245
Echinococcus granulosus zinc finger protein 0.0024 0.05 0.2219
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0376 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Brugia malayi Cathepsin L-like precursor 0.002 0.0376 0.0431
Brugia malayi Cathepsin L-like precursor 0.0014 0.0134 0.0154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2254 1
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0376 0.1561
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4864 0.5563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1695 0.703
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1695 0.7519
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1215 0.5391
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0021 0.0089
Leishmania major cathepsin L-like protease 0.0077 0.2433 1
Onchocerca volvulus 0.002 0.0376 0.0245
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0376 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.039 0.173
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.039 0.173
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0376 0.1561
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0376 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0134 0.0154
Brugia malayi Cathepsin L-like precursor 0.002 0.0376 0.0431
Loa Loa (eye worm) hypothetical protein 0.0057 0.1695 0.1939
Onchocerca volvulus Cathepsin F homolog 0.002 0.0376 0.0245
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0376 0.167
Schistosoma mansoni bromodomain containing protein 0.0076 0.2411 1
Onchocerca volvulus Cathepsin L homolog 0.002 0.0376 0.0245
Echinococcus granulosus cathepsin l1 0.002 0.0376 0.167
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Leishmania major cathepsin L-like protease 0.002 0.0376 0.0298
Loa Loa (eye worm) hypothetical protein 0.0052 0.1509 0.1726
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Leishmania major cysteine peptidase A (CPA) 0.002 0.0376 0.0298
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0949 0.4212
Plasmodium vivax vivapain-2 0.002 0.0376 0.3825
Brugia malayi Cathepsin L-like precursor 0.002 0.0376 0.0431
Trypanosoma cruzi ISWI complex protein 0.0018 0.0313 0.121
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.1836 0.7525
Echinococcus granulosus cysteine protease 0.001 0.0021 0.0095
Brugia malayi Bromodomain containing protein 0.0046 0.1319 0.1508
Leishmania major cathepsin L-like protease 0.002 0.0376 0.0298
Leishmania major cathepsin L-like protease 0.002 0.0376 0.0298
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0376 0.0356
Echinococcus multilocularis cysteine protease 0.002 0.0376 0.167
Schistosoma mansoni hypothetical protein 0.0018 0.0313 0.1299
Onchocerca volvulus 0.0036 0.0949 0.0826
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Loa Loa (eye worm) hypothetical protein 0.0014 0.0134 0.0154
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0376 0.167
Onchocerca volvulus 0.002 0.0376 0.0245
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Schistosoma mansoni zinc finger protein 0.0024 0.05 0.2075
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8743 1
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0021 0.0025
Loa Loa (eye worm) hypothetical protein 0.002 0.0376 0.0431
Brugia malayi Pre-SET motif family protein 0.0036 0.0949 0.1086
Loa Loa (eye worm) hypothetical protein 0.0014 0.0134 0.0154
Schistosoma mansoni hypothetical protein 0.0025 0.0546 0.2267
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Brugia malayi Bromodomain containing protein 0.0091 0.2923 0.3343
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Loa Loa (eye worm) hypothetical protein 0.0049 0.1425 0.163
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0417 0.0477
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.2433 1
Plasmodium vivax vivapain-2 0.002 0.0376 0.3825
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Onchocerca volvulus Cathepsin L homolog 0.002 0.0376 0.0245
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0376 0.1472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0014 0.0134 0.0113
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.2433 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Echinococcus granulosus cathepsin l1 0.0014 0.0134 0.0596
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.063 0.2794
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0949 0.3938
Leishmania major cathepsin L-like protease 0.002 0.0376 0.0298
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.2433 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.2433 1
Trypanosoma brucei ISWI complex protein 0.0018 0.0313 0.121
Entamoeba histolytica cysteine proteinase, putative 0.0014 0.0134 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0014 0.0134 0.0113
Leishmania major cathepsin L-like protease 0.002 0.0376 0.0298
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.2191 0.8997
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0376 0.167
Loa Loa (eye worm) hypothetical protein 0.0085 0.2736 0.313
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0901 0.3999
Echinococcus multilocularis cysteine protease 0.002 0.0376 0.167
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.2433 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0949 1
Brugia malayi MH2 domain containing protein 0.0144 0.4864 0.5563
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0949 0.3938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Onchocerca volvulus 0.002 0.0376 0.0245
Onchocerca volvulus 0.002 0.0376 0.0245
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0949 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0376 0.0356
Onchocerca volvulus 0.002 0.0376 0.0245
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Loa Loa (eye worm) ctsf protein 0.002 0.0376 0.0431
Brugia malayi cathepsin L-like precursor 0.0014 0.0134 0.0154
Echinococcus multilocularis zinc finger protein 0.0024 0.05 0.2219
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.063 0.2613
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Schistosoma mansoni zinc finger protein 0.0018 0.0313 0.1299
Loa Loa (eye worm) hypothetical protein 0.0046 0.1322 0.1512
Entamoeba histolytica cysteine protease, putative 0.002 0.0376 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1695 0.7519
Onchocerca volvulus 0.002 0.0376 0.0245
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0376 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0021 0.0089
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0376 0.167
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.039 0.1617
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.0376 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0376 0.0431
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0376 0.0356
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0376 0.0431
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0376 0.167
Brugia malayi Cathepsin L-like cysteine proteinase 0.0014 0.0134 0.0154

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

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