Detailed information for compound 1304309

Basic information

Technical information
  • TDR Targets ID: 1304309
  • Name: (2-oxo-2-phenylethyl) 3-methyl-2-[(4-methylcy clohexanecarbonyl)amino]butanoate
  • MW: 359.459 | Formula: C21H29NO4
  • H donors: 1 H acceptors: 3 LogP: 4.57 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(C(=O)OCC(=O)c1ccccc1)NC(=O)C1CCC(CC1)C)C
  • InChi: 1S/C21H29NO4/c1-14(2)19(22-20(24)17-11-9-15(3)10-12-17)21(25)26-13-18(23)16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,22,24)
  • InChiKey: FVDGQTPTPPFMQQ-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • (2-oxo-2-phenyl-ethyl) 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate
  • 3-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]butanoic acid (2-oxo-2-phenylethyl) ester
  • 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butyric acid (2-keto-2-phenyl-ethyl) ester
  • (2-oxo-2-phenyl-ethyl) 3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate
  • STK094394
  • EU-0047667
  • NCGC00100496-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii 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
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
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, clan CA, family C1, cathepsin L-like, 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
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
Trichomonas vaginalis Clan CA, family C1, papain-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
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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
Echinococcus granulosus cathepsin l1 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 cysteine peptidase A (CBA) 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
Plasmodium knowlesi knowpain-3 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 granulosus cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease 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
Brugia malayi Cathepsin L-like cysteine proteinase 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
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative 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-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
Entamoeba histolytica cysteine proteinase, 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, 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
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
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 cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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
Loa Loa (eye worm) papain family cysteine protease containing 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 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
Brugia malayi Cathepsin L-like precursor 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 brucei 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
Loa Loa (eye worm) ctsf protein 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 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
Toxoplasma gondii cathepsin CPL Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
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
Plasmodium falciparum cysteine proteinase falcipain 3 Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 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
Leishmania major 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
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
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
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
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
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
Theileria parva 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis 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
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
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
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein 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
Echinococcus granulosus cathepsin L cysteine proteinase 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 survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Entamoeba histolytica cysteine protease, 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
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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Theileria parva 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
Echinococcus multilocularis cathepsin L 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
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
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
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
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
Plasmodium falciparum cysteine proteinase falcipain 2b 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 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
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
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
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Cathepsin F homolog 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
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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative 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
Leishmania braziliensis cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
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
Cryptosporidium hominis cryptopain precursor Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 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
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
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
Trypanosoma brucei 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
Leishmania donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) fibroinase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni glutamate receptor kainate 0.0025 0.0182 0.0272
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0.1405 0.8515
Toxoplasma gondii isocitrate dehydrogenase 0.0069 0.1405 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7486 1
Echinococcus multilocularis glutamate receptor 2 0.0025 0.0182 0.0243
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Loa Loa (eye worm) glutamate receptor 2 0.0025 0.0182 0.0182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Brugia malayi MH2 domain containing protein 0.0271 0.7071 0.7071
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0069 0.1405 1
Schistosoma mansoni hypothetical protein 0.0119 0.2811 0.4212
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0314 0.042
Schistosoma mansoni tar DNA-binding protein 0.0144 0.353 0.529
Loa Loa (eye worm) hypothetical protein 0.0119 0.2811 0.2811
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.005 0.0066
Echinococcus multilocularis isocitrate dehydrogenase 0.0069 0.1405 0.1878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0257 0.6672 0.6672
Loa Loa (eye worm) glutamate receptor 1 0.0025 0.0182 0.0182
Loa Loa (eye worm) latrophilin receptor protein 2 0.0119 0.2811 0.2811
Echinococcus granulosus glutamate receptor 2 0.002 0.0056 0.0074
Echinococcus multilocularis caspase 2 0.003 0.0333 0.0444
Echinococcus granulosus inhibitor of apoptosis protein 0.004 0.0599 0.08
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0069 0.1405 0.1878
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Schistosoma mansoni glutamate receptor AMPA 0.0025 0.0182 0.0272
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0069 0.1405 0.1878
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0024 0.0146 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Brugia malayi hypothetical protein 0.003 0.0314 0.0314
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0119 0.2811 0.2811
Echinococcus multilocularis apoptotic protease activating factor 1 0.003 0.0333 0.0444
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0069 0.1405 0.8218
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0069 0.1405 0.1405
Schistosoma mansoni ATP-binding cassette transporter 0.0025 0.0182 0.0272
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0069 0.1405 0.1878
Onchocerca volvulus 0.003 0.0333 0.2655
Schistosoma mansoni tar DNA-binding protein 0.0144 0.353 0.529
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.004 0.0599 0.0599
Brugia malayi hypothetical protein 0.0043 0.0701 0.0701
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Schistosoma mansoni tar DNA-binding protein 0.0144 0.353 0.529
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.004 0.0599 0.0898
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.1455 0.8824
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.004 0.0599 0.0599
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.005 0.0066
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Schistosoma mansoni glutamate receptor NMDA 0.0025 0.0182 0.0272
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Echinococcus multilocularis nmda type glutamate receptor 0.0033 0.0404 0.054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0314 0.1953
Echinococcus granulosus geminin 0.0174 0.4368 0.5835
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7486 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Echinococcus granulosus caspase 2 0.003 0.0333 0.0444
Schistosoma mansoni survival motor neuron protein 0.0058 0.1115 0.1671
Echinococcus granulosus glutamate NMDA receptor subunit 0.0025 0.0182 0.0243
Echinococcus multilocularis GPCR, family 2 0.0119 0.2811 0.3755
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0033 0.0404 0.054
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0314 0.042
Entamoeba histolytica hypothetical protein 0.0043 0.0701 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0599 0.0599
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0314 0.042
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0119 0.2811 0.3755
Echinococcus granulosus GPCR family 2 0.0119 0.2811 0.3755
Loa Loa (eye worm) hypothetical protein 0.003 0.0314 0.0314
Brugia malayi Cathepsin L-like precursor 0.002 0.005 0.005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Brugia malayi Cathepsin L-like precursor 0.002 0.005 0.005
Entamoeba histolytica hypothetical protein 0.0043 0.0701 1
Schistosoma mansoni inhibitor of apoptosis protein 0.004 0.0599 0.0898
Echinococcus multilocularis tar DNA binding protein 0.0144 0.353 0.4716
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0.1405 0.8515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Echinococcus multilocularis cysteine protease 0.002 0.005 0.0066
Echinococcus granulosus glutamate receptor 2 0.003 0.0314 0.042
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0.1405 0.8218
Loa Loa (eye worm) cysteine protease 0.002 0.005 0.005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.003 0.0333 0.0499
Chlamydia trachomatis glutamine binding protein 0.0024 0.0146 0.5
Brugia malayi Latrophilin receptor protein 2 0.0119 0.2811 0.2811
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0314 0.1953
Schistosoma mansoni hypothetical protein 0.0174 0.4368 0.6546
Schistosoma mansoni tar DNA-binding protein 0.0144 0.353 0.529
Echinococcus multilocularis cysteine protease 0.002 0.005 0.0066
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.003 0.0333 0.0333
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0069 0.1405 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.353 0.353
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0701 0.0936
Loa Loa (eye worm) hypothetical protein 0.0286 0.7486 0.7486
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0314 0.042
Schistosoma mansoni hypothetical protein 0.0119 0.2811 0.4212
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Echinococcus granulosus tar DNA binding protein 0.0144 0.353 0.4716
Loa Loa (eye worm) hypothetical protein 0.004 0.0599 0.0599
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0069 0.1405 0.1878
Onchocerca volvulus Cell death protein 3 homolog 0.003 0.0333 0.2655
Brugia malayi Glutamate receptor 2 precursor 0.0025 0.0182 0.0182
Loa Loa (eye worm) RNA binding protein 0.0144 0.353 0.353
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.005 0.0066
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0024 0.0146 0.5
Leishmania major cathepsin L-like protease 0.0077 0.1642 1
Toxoplasma gondii isocitrate dehydrogenase 0.0069 0.1405 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.005 0.5
Schistosoma mansoni hypothetical protein 0.004 0.0599 0.0898
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0069 0.1405 1
Brugia malayi Cell death protein 3 precursor 0.003 0.0333 0.0333
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0069 0.1405 0.8515
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0069 0.1405 0.1878
Echinococcus granulosus nmda type glutamate receptor 0.0033 0.0404 0.054
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0701 0.0936
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0119 0.2811 0.3755
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0025 0.0182 0.0243
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.005 0.5
Leishmania major hypothetical protein, conserved 0.003 0.0314 0.1663
Leishmania major cathepsin L-like protease 0.0077 0.1642 1
Brugia malayi isocitrate dehydrogenase 0.0069 0.1405 0.1405
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0271 0.7071 0.7071
Schistosoma mansoni hypothetical protein 0.0174 0.4368 0.6546
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0069 0.1405 0.2106
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.005 0.005
Brugia malayi Cathepsin L-like precursor 0.002 0.005 0.005
Brugia malayi hypothetical protein 0.0286 0.7486 0.7486
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.005 0.0074
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0314 0.1953
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.118 0.7098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Schistosoma mansoni hypothetical protein 0.0257 0.6672 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0333 0.0333
Leishmania major cathepsin L-like protease 0.0077 0.1642 1
Echinococcus multilocularis glutamate receptor 2 0.003 0.0314 0.042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Schistosoma mansoni glutamate receptor kainate 0.0025 0.0182 0.0272
Brugia malayi Isocitrate dehydrogenase 0.0069 0.1405 0.1405
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.005 0.0074
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0314 0.042
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1642 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0119 0.2811 0.3755
Echinococcus multilocularis glutamate receptor 2 0.002 0.0056 0.0074
Schistosoma mansoni glutamate receptor AMPA 0.0025 0.0182 0.0272
Schistosoma mansoni hypothetical protein 0.0119 0.2811 0.4212
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0701 0.105
Loa Loa (eye worm) ctsf protein 0.002 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0043 0.0701 0.105
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0314 0.1953
Loa Loa (eye worm) hypothetical protein 0.0375 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.005 0.0066
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0314 0.1663
Schistosoma mansoni hypothetical protein 0.003 0.0333 0.0499
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0375 1 1
Brugia malayi hypothetical protein 0.003 0.0333 0.0333
Entamoeba histolytica hypothetical protein 0.0043 0.0701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Schistosoma mansoni hypothetical protein 0.0119 0.2811 0.4212
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1115 0.1115
Echinococcus multilocularis geminin 0.0174 0.4368 0.5835
Loa Loa (eye worm) MH2 domain-containing protein 0.0271 0.7071 0.7071
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.003 0.0314 0.042
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Onchocerca volvulus 0.0058 0.1115 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1642 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0024 0.0146 0.5
Brugia malayi Cathepsin L-like precursor 0.002 0.005 0.005
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0314 0.1663
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0314 0.042
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1642 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.004 0.0599 0.08
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.353 0.353
Schistosoma mansoni glutamate receptor kainate 0.0025 0.0182 0.0272
Brugia malayi hypothetical protein 0.0019 0.002 0.002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1642 1
Echinococcus granulosus cathepsin l1 0.002 0.005 0.0066
Loa Loa (eye worm) fibroinase 0.002 0.005 0.005
Brugia malayi Cathepsin L-like precursor 0.002 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.002 0.005 0.005
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.005 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0025 0.0182 0.0182
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0119 0.2811 0.3755
Echinococcus multilocularis inhibitor of apoptosis protein 0.004 0.0599 0.08
Brugia malayi latrophilin 2 splice variant baaae 0.0257 0.6672 0.6672
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.005 0.0066
Brugia malayi Papain family cysteine protease containing protein 0.002 0.005 0.005
Loa Loa (eye worm) TAR-binding protein 0.0144 0.353 0.353
Schistosoma mansoni tar DNA-binding protein 0.0144 0.353 0.529
Entamoeba histolytica hypothetical protein 0.0043 0.0701 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.004 0.0599 0.08
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.1642 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0375 1 1
Schistosoma mansoni hypothetical protein 0.0058 0.1115 0.1671
Schistosoma mansoni glutamate receptor NMDA 0.003 0.0314 0.0471
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.005 0.0066
Brugia malayi TAR-binding protein 0.0144 0.353 0.353
Brugia malayi RNA binding protein 0.0144 0.353 0.353
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.003 0.0314 0.042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.005 0.5
Onchocerca volvulus 0.004 0.0599 0.5157
Echinococcus granulosus apoptotic protease activating factor 1 0.003 0.0333 0.0444
Brugia malayi Cathepsin L-like precursor 0.002 0.005 0.005
Onchocerca volvulus Deterin homolog 0.004 0.0599 0.5157
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0024 0.0146 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with 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), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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