Detailed information for compound 1283362

Basic information

Technical information
  • TDR Targets ID: 1283362
  • Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-b utylbenzoyl)amino]-3-(1H-indol-3-yl)propanoat e
  • MW: 512.596 | Formula: C31H32N2O5
  • H donors: 2 H acceptors: 3 LogP: 6.29 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C(=O)COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C31H32N2O5/c1-31(2,3)23-13-9-21(10-14-23)29(35)33-27(17-22-18-32-26-8-6-5-7-25(22)26)30(36)38-19-28(34)20-11-15-24(37-4)16-12-20/h5-16,18,27,32H,17,19H2,1-4H3,(H,33,35)
  • InChiKey: LIASMTYFSIFYFK-UHFFFAOYSA-N  


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Synonyms

  • [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoate
  • 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester
  • 2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester
  • [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate
  • STK174542
  • NCGC00099273-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania infantum cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
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
Echinococcus multilocularis cathepsin L 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
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, 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
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Theileria parva cysteine protease, putative 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
Neospora caninum Cathepsin L, related Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni cathepsin F (C01 family) 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
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
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) 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
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
Brugia malayi Cathepsin L-like precursor 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
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, 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
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
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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-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
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
Echinococcus multilocularis cathepsin L cysteine 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 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-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 Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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 Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
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
Entamoeba histolytica cysteine proteinase, 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
Schistosoma mansoni cathepsin F (C01 family) 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
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 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
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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
Onchocerca volvulus Cathepsin F homolog 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 congolense 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-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
Plasmodium falciparum cysteine proteinase falcipain 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 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
Theileria parva cysteine proteinase 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-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
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
Echinococcus granulosus cathepsin l1 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
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
Leishmania mexicana 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
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-3 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
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Cathepsin L-like precursor 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
Leishmania mexicana cathepsin L-like 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
Cryptosporidium hominis cryptopain precursor 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 cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein 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 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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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
Brugia malayi Cathepsin L-like 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
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus 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
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2b Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
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
Schistosoma japonicum expressed protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0167 0.0127 0.185
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0006 0.0841
Brugia malayi beta-lactamase 0.0035 0.0017 0.2467
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0004 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0006 0.0841
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0006 0.0841
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0006 0.0841
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0006 0.0084
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0025 0.0363
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0006 0.0084
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0006 0.0841
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0103 0.1504
Loa Loa (eye worm) ctsf protein 0.002 0.0004 0.0605
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0006 0.0841
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0025 0.0363
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0004 0.006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0006 0.0841
Entamoeba histolytica hypothetical protein 0.0035 0.0017 0.1979
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0068 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0022 0.0321
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0022 0.0321
Loa Loa (eye worm) hypothetical protein 0.0097 0.0068 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0022 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0006 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0006 0.0841
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.0303
Loa Loa (eye worm) hypothetical protein 0.0049 0.0028 0.4099
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0017 0.0246
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0017 0.7119
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0028 0.4052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.0176 0.016
Schistosoma mansoni hypothetical protein 0.0152 0.0114 0.1672
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0006 0.0841
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0017 0.7119
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0004 0.006
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.0052 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0006 0.0084
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0006 0.0084
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0004 0.006
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0103 0.1504
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0006 0.0084
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0017 0.2467
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2467
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0006 0.1265
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0004 0.0605
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0004 0.006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0006 0.0084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0006 0.0841
Onchocerca volvulus 0.0035 0.0017 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0025 0.3642
Brugia malayi Cathepsin L-like precursor 0.002 0.0004 0.0605
Schistosoma mansoni coup transcription factor 0.0022 0.0006 0.0084
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0006 0.0084
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0006 0.0084
Echinococcus multilocularis cysteine protease 0.002 0.0004 0.006
Mycobacterium ulcerans transcriptional regulator 1.1963 1 1
Loa Loa (eye worm) cysteine protease 0.002 0.0004 0.0605
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.0052 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0004 0.0605
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.0685 1
Brugia malayi CHE-14 protein 0.0042 0.0022 0.3221
Schistosoma mansoni hypothetical protein 0.0033 0.0015 0.0217
Onchocerca volvulus 0.0022 0.0006 0.1265
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0006 0.1265
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Schistosoma mansoni thyroid hormone receptor 0.0174 0.0133 0.1942
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0006 0.0084
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0017 0.7119
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.0046 0.8824
Mycobacterium ulcerans TetR family transcriptional regulator 1.1963 1 1
Echinococcus granulosus cathepsin l1 0.002 0.0004 0.006
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0006 0.0084
Brugia malayi ecdysteroid receptor 0.0022 0.0006 0.0841
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0004 0.006
Echinococcus multilocularis protein dispatched 1 0.0047 0.0027 0.0393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0006 0.0841
Loa Loa (eye worm) glutamate receptor 0.0016 0 0.0034
Leishmania major hypothetical protein, conserved 0.0035 0.0017 0.2671
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0006 0.0084
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0017 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0006 0.1265
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0068 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Brugia malayi hypothetical protein 0.0035 0.0017 0.2464
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0004 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0017 0.2467
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0068 0.0996
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Brugia malayi nuclear receptor NHR-88 0.0022 0.0006 0.0841
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0006 0.0084
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0025 0.0363
Brugia malayi Cathepsin L-like precursor 0.002 0.0004 0.0605
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0006 0.0084
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0017 0.0246
Onchocerca volvulus 0.0035 0.0017 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0069 0.1015
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0004 0.0605
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0017 0.7119
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.0114 0.1672
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0025 0.0363
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0006 0.0841
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0006 0.0841
Echinococcus granulosus expressed conserved protein 0.0091 0.0063 0.0925
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0006 0.0084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0006 0.0841
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0797 0.0654 0.9558
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0017 0.0245
Brugia malayi Cathepsin L-like precursor 0.002 0.0004 0.0605
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.0685 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0004 0.0605
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0006 0.0841
Loa Loa (eye worm) fibroinase 0.002 0.0004 0.0605
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0017 0.0246
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0004 0.006
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0006 0.0084
Entamoeba histolytica hypothetical protein 0.0035 0.0017 0.1979
Entamoeba histolytica hypothetical protein 0.0035 0.0017 0.1979
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0006 0.0084
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0006 0.0084
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.0052 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0004 0.0605
Mycobacterium ulcerans AcrR family transcriptional regulator 1.1963 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0025 0.3642
Echinococcus granulosus geminin 0.0167 0.0127 0.185
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.0038 0.7098
Schistosoma mansoni metabotropic glutamate receptor 0.0019 0.0003 0.0049
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.0004 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0025 0.0363
Loa Loa (eye worm) hypothetical protein 0.002 0.0004 0.0605
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0025 0.0363
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0017 0.7119
Schistosoma mansoni thyroid hormone receptor 0.0174 0.0133 0.1942
Leishmania major cathepsin L-like protease 0.0077 0.0052 1
Leishmania major cathepsin L-like protease 0.0077 0.0052 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0006 0.0841
Loa Loa (eye worm) hypothetical protein 0.0048 0.0028 0.4052
Trichomonas vaginalis esterase, putative 0.0035 0.0017 0.7119
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0006 0.0084
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2467
Onchocerca volvulus 0.0035 0.0017 1
Brugia malayi steroid hormone receptor 0.0022 0.0006 0.0841
Echinococcus granulosus metabotropic glutamate receptor 2 0.0033 0.0015 0.0218
Echinococcus multilocularis expressed conserved protein 0.0091 0.0063 0.0925
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0025 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0006 0.0841
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0006 0.0841
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0006 0.0841
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0033 0.0015 0.0218
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0006 0.0841
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2467
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0006 0.0084
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2467
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0004 0.006
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0022 0.0321
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2467
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0022 0.3221
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0017 0.2671
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0006 0.0084
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.0003 0.049
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0004 0.006
Loa Loa (eye worm) hypothetical protein 0.0051 0.003 0.4367
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0068 0.0996
Loa Loa (eye worm) hypothetical protein 0.0033 0.0015 0.2177
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.002 0.2978
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 1.1963 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0015 0.2177
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.0028 0.0408
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0052 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0174 0.0133 0.1942
Loa Loa (eye worm) hypothetical protein 0.0042 0.0022 0.3221
Echinococcus multilocularis protein patched 0.0042 0.0022 0.0321
Schistosoma mansoni patched 1 0.0042 0.0022 0.0321
Schistosoma mansoni hypothetical protein 0.0035 0.0017 0.0245
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.0028 0.0408
Entamoeba histolytica hypothetical protein 0.0035 0.0017 0.1979
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0006 0.0841
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0006 0.0084
Echinococcus multilocularis cysteine protease 0.002 0.0004 0.006
Brugia malayi nuclear hormone receptor 0.0022 0.0006 0.0841
Echinococcus multilocularis geminin 0.0167 0.0127 0.185
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0006 0.0841
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.0303
Leishmania major cathepsin L-like protease 0.0077 0.0052 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0017 0.2521
Echinococcus granulosus microtubule associated protein 2 0.0833 0.0685 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2467
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0017 0.0246
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Schistosoma mansoni hypothetical protein 0.0167 0.0127 0.185
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.0052 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0017 0.2467
Brugia malayi beta-lactamase family protein 0.0035 0.0017 0.2467
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0006 0.0841
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0006 0.0084
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.0114 0.1672
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0017 0.2671
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0028 0.4052
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0028 0.4052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0006 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0006 0.0841
Loa Loa (eye worm) glutamate receptor 0.004 0.002 0.2978
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0006 0.0084
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0025 0.0363
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0004 0.0605
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0006 0.0084
Toxoplasma gondii ABC1 family protein 0.0035 0.0017 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0006 0.0084
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0841
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0017 0.0245
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0017 0.0245
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0017 0.2467
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.0015 0.0218

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 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) = 3.1623 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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 (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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