Detailed information for compound 1887386

Basic information

Technical information
  • TDR Targets ID: 1887386
  • Name: [4-[[[2-(2,6-dimethyl-4-nitrophenoxy)acetyl]h ydrazinylidene]methyl]phenyl] benzoate
  • MW: 447.44 | Formula: C24H21N3O6
  • H donors: 1 H acceptors: 4 LogP: 4.84 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N/N=C/c1ccc(cc1)OC(=O)c1ccccc1)COc1c(C)cc(cc1C)[N+](=O)[O-]
  • InChi: 1S/C24H21N3O6/c1-16-12-20(27(30)31)13-17(2)23(16)32-15-22(28)26-25-14-18-8-10-21(11-9-18)33-24(29)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,28)/b25-14+
  • InChiKey: JSTBBLDUEFOWTR-AFUMVMLFSA-N  


Substructure search Similarity search

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Synonyms

  • [4-[(E)-[[2-(2,6-dimethyl-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
  • [4-[(E)-[[2-(2,6-dimethyl-4-nitro-phenoxy)acetyl]hydrazono]methyl]phenyl] benzoate
  • [4-[[[2-(2,6-dimethyl-4-nitro-phenoxy)acetyl]hydrazono]methyl]phenyl] benzoate
  • benzoic acid [4-[(E)-[[2-(2,6-dimethyl-4-nitrophenoxy)-1-oxoethyl]hydrazono]methyl]phenyl] ester
  • benzoic acid [4-[[[2-(2,6-dimethyl-4-nitrophenoxy)-1-oxoethyl]hydrazono]methyl]phenyl] ester
  • benzoic acid [4-[(E)-[[2-(2,6-dimethyl-4-nitro-phenoxy)acetyl]hydrazono]methyl]phenyl] ester
  • benzoic acid [4-[[[2-(2,6-dimethyl-4-nitro-phenoxy)acetyl]hydrazono]methyl]phenyl] ester
  • [4-[[2-(2,6-dimethyl-4-nitro-phenoxy)ethanoylhydrazinylidene]methyl]phenyl] benzoate
  • [4-[(E)-[2-(2,6-dimethyl-4-nitro-phenoxy)ethanoylhydrazinylidene]methyl]phenyl] benzoate
  • SMR000174230
  • BAS 00282250
  • Benzoic acid 4-{[2-(2,6-dimethyl-4-nitro-phenoxy)-acetyl]-hydrazonomethyl}-phenyl ester
  • MLS000567003

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cysteine peptidase A (CPA) 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
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus 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
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
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
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cruzipain precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) 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 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
Theileria parva cysteine proteinase, putative 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 brucei gambiense cysteine peptidase precursor,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
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
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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 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
Echinococcus multilocularis cathepsin L cysteine protease 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
Loa Loa (eye worm) fibroinase 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
Loa Loa (eye worm) hypothetical protein 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
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
Leishmania infantum 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
Plasmodium falciparum cysteine proteinase falcipain 3 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
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:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Cathepsin L, related 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 or K-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
Toxoplasma gondii cathepsin CPL 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
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
Theileria parva cysteine 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Papain family cysteine protease containing protein 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
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
Theileria parva 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
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2a Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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 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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
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
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium vivax vivapain-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
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 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
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
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
Cryptosporidium hominis cryptopain precursor Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense 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
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
Schistosoma mansoni cathepsin F (C01 family) 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
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
Brugia malayi Cathepsin L-like precursor 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 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
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
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
Plasmodium berghei berghepain-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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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 major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, 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
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 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 mexicana cathepsin L-like protease, 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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
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
Loa Loa (eye worm) papain family cysteine protease containing protein 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cathepsin L-like precursor 0.002 0.2116 0.2529
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Onchocerca volvulus 0.002 0.2116 0.3161
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.2116 1
Entamoeba histolytica cysteine proteinase, putative 0.002 0.2116 1
Onchocerca volvulus Cathepsin L homolog 0.002 0.2116 0.3161
Brugia malayi Cathepsin L-like precursor 0.002 0.2116 0.2529
Entamoeba histolytica cysteine proteinase, putative 0.002 0.2116 1
Onchocerca volvulus 0.002 0.2116 0.3161
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.0755 0.0642
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0755 0.0793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0014 0.1188 0.4593
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0505 0.0531
Schistosoma mansoni cpg binding protein 0.0037 0.4397 0.4619
Plasmodium vivax vivapain-2 0.002 0.2116 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.2116 0.1924
Onchocerca volvulus 0.002 0.2116 0.3161
Loa Loa (eye worm) hypothetical protein 0.0019 0.1953 0.231
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.2116 0.2529
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Trypanosoma cruzi cysteine peptidase, putative 0.001 0.0755 0.053
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0755 0.0697
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.2116 0.2223
Entamoeba histolytica cysteine proteinase, putative 0.0014 0.1188 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.2116 0.4138
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.2116 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0755 0.0793
Brugia malayi CXXC zinc finger family protein 0.0035 0.4122 0.5231
Brugia malayi Papain family cysteine protease containing protein 0.002 0.2116 0.2529
Loa Loa (eye worm) cysteine protease 0.002 0.2116 0.2529
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.2116 1
Schistosoma mansoni cathepsin F (C01 family) 0.0014 0.1188 0.1248
Trypanosoma cruzi cysteine proteinase, putative 0.001 0.0755 0.053
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.2116 0.2223
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Plasmodium vivax vivapain-1 0.001 0.0755 0.2757
Trypanosoma cruzi cysteine peptidase, putative 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.7712 0.7656
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.2116 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.2116 0.2529
Brugia malayi Cathepsin L-like precursor 0.002 0.2116 0.2529
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trypanosoma cruzi cysteine protease, putative 0.001 0.0755 0.053
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.2116 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Echinococcus granulosus cysteine protease 0.001 0.0755 0.0642
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Onchocerca volvulus Cathepsin F homolog 0.002 0.2116 0.3161
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0755 0.2069
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1953 0.372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Echinococcus multilocularis cathepsin L 0.001 0.0755 0.0642
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7663 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.502 0.6441
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.2116 0.4138
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Echinococcus multilocularis cysteine protease 0.002 0.2116 0.4138
Schistosoma mansoni cathepsin s 0.0007 0.0237 0.0249
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.001 0.0755 0.053
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1953 0.231
Loa Loa (eye worm) hypothetical protein 0.006 0.7663 1
Onchocerca volvulus 0.002 0.2116 0.3161
Brugia malayi Cathepsin L-like cysteine proteinase 0.0014 0.1188 0.128
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4122 0.5231
Schistosoma mansoni hypothetical protein 0.0019 0.1953 0.2052
Schistosoma mansoni hypothetical protein 0.0041 0.502 0.5275
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.2116 0.4138
Loa Loa (eye worm) ctsf protein 0.002 0.2116 0.2529
Brugia malayi Cathepsin L-like precursor 0.002 0.2116 0.2529
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.2116 0.4138
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Onchocerca volvulus 0.002 0.2116 0.3161
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0799 0.0756
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0755 0.0793
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0799 0.0754
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1953 0.372
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0755 0.0697
Echinococcus multilocularis GPCR, family 2 0.0019 0.1953 0.372
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8427 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0799 0.0754
Schistosoma mansoni cpg binding protein 0.0037 0.4397 0.4619
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.1188 0.128
Echinococcus granulosus GPCR family 2 0.0019 0.1953 0.372
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.9072 0.905
Echinococcus granulosus cathepsin l1 0.0014 0.1188 0.1754
Schistosoma mansoni hypothetical protein 0.0019 0.1953 0.2052
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.1953 0.2052
Plasmodium vivax unspecified product 0.001 0.0755 0.2757
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1953 0.372
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.078 0.073
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1953 0.231
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Leishmania major cathepsin L-like protease 0.0077 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.2116 0.4138
Trypanosoma cruzi cysteine proteinase, putative 0.001 0.0755 0.053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0755 0.2069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.502 0.6441
Trypanosoma cruzi cysteine peptidase, putative 0.0077 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1953 0.372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7663 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7663 1
Echinococcus granulosus cpg binding protein 0.0037 0.4397 1
Plasmodium vivax vivapain-3 0.001 0.0755 0.2757
Brugia malayi Cathepsin L-like precursor 0.002 0.2116 0.2529
Schistosoma mansoni hypothetical protein 0.0019 0.1953 0.2052
Brugia malayi Cathepsin L-like precursor 0.002 0.2116 0.2529
Brugia malayi cathepsin L-like precursor 0.0014 0.1188 0.128
Echinococcus granulosus cathepsin L 0.001 0.0755 0.0642
Loa Loa (eye worm) hypothetical protein 0.0014 0.1188 0.128
Loa Loa (eye worm) hypothetical protein 0.0014 0.1188 0.128
Echinococcus multilocularis cpg binding protein 0.0037 0.4397 1
Onchocerca volvulus 0.002 0.2116 0.3161
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.2116 0.4138
Loa Loa (eye worm) fibroinase 0.002 0.2116 0.2529
Echinococcus multilocularis cysteine protease 0.002 0.2116 0.4138
Brugia malayi Cathepsin L-like precursor 0.0014 0.1188 0.128
Loa Loa (eye worm) hypothetical protein 0.002 0.2116 0.2529
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1953 0.231
Onchocerca volvulus 0.0035 0.4122 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.9518 1
Leishmania major cathepsin L-like protease 0.0077 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.4122 0.4331
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0014 0.1188 0.4593
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.2116 1
Onchocerca volvulus Cathepsin L homolog 0.002 0.2116 0.3161
Trypanosoma cruzi cruzipain precursor, putative 0.0077 1 1
Brugia malayi Cathepsin L-like precursor 0.0014 0.1188 0.128
Onchocerca volvulus 0.002 0.2116 0.3161
Echinococcus granulosus cathepsin l1 0.002 0.2116 0.4138
Plasmodium vivax vivapain-2 0.002 0.2116 1
Entamoeba histolytica cysteine protease, putative 0.002 0.2116 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.2116 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 28.013 um PUBCHEM_BIOASSAY: Fluorescence-based dose response cell-based high throughput screening assay to identify antagonists of the G-protein coupled receptor 7 (GPR7). (Class of assay: confirmatory) [Related pubchem assays: 1952 (Screening assay (GPR7 antagonists).), 1880 (Summary AID.)] ChEMBL. No reference
IC50 (functional) > 43.807 um PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based high throughput dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1). (Class of assay: confirmatory) [Related pubchem assays: 1880 (Summary AID.), 2148 (Screening assay (MCHR1 antagonists).), 1952 (Screening assay (GPR7 antagonists).), 1861 (Screening assay (GPR7 antagonists).)] ChEMBL. No reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 28.1838 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) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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