Detailed information for compound 206494

Basic information

Technical information
  • TDR Targets ID: 206494
  • Name: 5-nitro-1H-indole-2,3-dione
  • MW: 192.128 | Formula: C8H4N2O4
  • H donors: 1 H acceptors: 4 LogP: 0.55 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-]
  • InChi: 1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
  • InChiKey: UNMYHYODJHKLOC-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 5-nitroindoline-2,3-dione
  • 5-nitroisatin
  • 611-09-6
  • Isatin, 5-nitro-
  • NSC525798
  • 1H-Indole-2,3-dione, 5-nitro- (9CI)
  • 2,3-Dihydro-5-nitroindole-2,3-dione
  • 5-21-10-00267 (Beilstein Handbook Reference)
  • 5-Nitroindole-2,3-dione
  • BRN 0180223
  • CCRIS 4031
  • EINECS 210-252-5
  • INDOLE-2,3-DIONE, 5-NITRO-
  • Isatin, 5-nitro- (6CI)
  • N-Nitroisatin
  • NSC 525798
  • ST5188794
  • N17807_ALDRICH
  • ZINC03860649
  • 1H-Indole-2,3-dione, 5-nitro-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum MO15-related protein kinase Starlite/ChEMBL References
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL References
Homo sapiens caspase 3, apoptosis-related cysteine peptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) ctsf protein 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
Loa Loa (eye worm) fibroinase 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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
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
Babesia bovis cyclin-dependent kinase-related kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
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 infantum cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease 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 caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
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
Leishmania major cathepsin L-like protease 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
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing 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
Onchocerca volvulus Cathepsin F homolog Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-2 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
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 congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum 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
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, 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
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 cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
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 parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
Brugia malayi Cathepsin L-like precursor 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
Toxoplasma gondii cathepsin CPL 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
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
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
Leishmania infantum cathepsin L-like 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
Plasmodium falciparum cysteine proteinase falcipain 3 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
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
Brugia malayi Cathepsin L-like precursor 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
Leishmania major cathepsin L-like protease 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
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
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 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
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 knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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 cruzipain precursor, 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
Toxoplasma gondii cell-cycle-associated protein kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
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
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 major cathepsin L-like protease 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
Cryptosporidium hominis cryptopain 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 donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative Get druggable targets OG5_141009 All targets in OG5_141009
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cyclin-dependent kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis 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
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
Onchocerca volvulus 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
Plasmodium berghei MO15-related protein kinase Get druggable targets OG5_141009 All targets in OG5_141009
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma 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
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
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 mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative 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 Papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum MO15-related protein kinase Get druggable targets OG5_141009 All targets in OG5_141009
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
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii MO15-related protein kinase Pfmrk Get druggable targets OG5_141009 All targets in OG5_141009
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cyclin-dependent kinase-related kinase Get druggable targets OG5_141009 All targets in OG5_141009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium parvum cyclin-dependent kinase-related kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
Leishmania major 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
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
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 mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Neospora caninum CAM kinase, CDPK family, putative Get druggable targets OG5_141009 All targets in OG5_141009
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
Loa Loa (eye worm) papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
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
Plasmodium knowlesi knowpain-4 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 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 brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi MO15-related protein kinase Get druggable targets OG5_141009 All targets in OG5_141009
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Onchocerca volvulus 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
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
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
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
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Neospora caninum Cathepsin L, related Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus cathepsin L cysteine proteinase 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
Trypanosoma cruzi cysteine peptidase, 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 Cell death protein 3 precursor caspase 3, apoptosis-related cysteine peptidase 277 aa 253 aa 38.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 MO15-related protein kinase 324 aa 313 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Leishmania major cathepsin L-like protease 0.0077 0.4999 1
Entamoeba histolytica cysteine proteinase, putative 0.002 0.077 1
Echinococcus granulosus cathepsin L 0.001 0.004 0.0049
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.077 0.0941
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Onchocerca volvulus Cathepsin F homolog 0.002 0.077 0.361
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Brugia malayi Cathepsin L-like precursor 0.002 0.077 0.4666
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Brugia malayi Papain family cysteine protease containing protein 0.002 0.077 0.4666
Loa Loa (eye worm) hypothetical protein 0.0014 0.0273 0.1652
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.077 0.0733
Brugia malayi Papain family cysteine protease containing protein 0.001 0.004 0.0245
Trypanosoma cruzi metacaspase, putative 0.0032 0.1651 0.3302
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Entamoeba histolytica cysteine proteinase, putative 0.001 0.004 0.0526
Plasmodium vivax vivapain-1 0.001 0.004 0.004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Loa Loa (eye worm) fibroinase 0.002 0.077 0.4666
Brugia malayi Cathepsin L-like cysteine proteinase 0.0014 0.0273 0.1652
Onchocerca volvulus 0.002 0.077 0.361
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.077 0.0941
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.1651 0.3302
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1651 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.077 0.0733
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.004 0.0049
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.004 0.0049
Leishmania major cathepsin L-like protease 0.002 0.077 0.1541
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.4999 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Onchocerca volvulus Cell death protein 3 homolog 0.0032 0.1651 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.1651 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.077 0.0941
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.4999 1
Echinococcus multilocularis cysteine protease 0.002 0.077 0.0941
Leishmania major cathepsin L-like protease 0.0077 0.4999 1
Brugia malayi Cathepsin L-like precursor 0.002 0.077 0.4666
Loa Loa (eye worm) hypothetical protein 0.0032 0.1651 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.004 0.0049
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.4502 0.9005
Trypanosoma cruzi cysteine proteinase, putative 0.001 0.004 0.0081
Loa Loa (eye worm) ctsf protein 0.002 0.077 0.4666
Plasmodium vivax unspecified product 0.001 0.004 0.004
Brugia malayi Cathepsin L-like precursor 0.002 0.077 0.4666
Echinococcus multilocularis caspase 2 0.0032 0.1651 0.2016
Plasmodium falciparum metacaspase-like protein 0.0032 0.1651 0.1617
Giardia lamblia Kinase, CAMK CAMKL 0.001 0 0.5
Plasmodium vivax vivapain-2 0.002 0.077 0.077
Leishmania major cathepsin L-like protease 0.002 0.077 0.1541
Echinococcus multilocularis caspase 8 0.0032 0.1651 0.2016
Leishmania major cathepsin L-like protease 0.002 0.077 0.1541
Onchocerca volvulus Cathepsin L homolog 0.002 0.077 0.361
Plasmodium vivax vivapain-3 0.001 0.004 0.004
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.1651 0.1033
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0014 0.0273 0.1652
Entamoeba histolytica cysteine proteinase, putative 0.001 0.004 0.0526
Leishmania major cysteine peptidase A (CPA) 0.002 0.077 0.1541
Trypanosoma cruzi cysteine protease, putative 0.001 0.004 0.0081
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.077 0.4666
Onchocerca volvulus Cathepsin L homolog 0.002 0.077 0.361
Echinococcus granulosus caspase 2 0.0032 0.1651 0.2016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.004 0.0245
Trypanosoma brucei metacaspase 5, putative 0.0032 0.1651 0.3302
Entamoeba histolytica cysteine proteinase, putative 0.002 0.077 1
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.077 0.0941
Leishmania major cathepsin L-like protease 0.002 0.077 0.1541
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Schistosoma mansoni cathepsin F (C01 family) 0.0014 0.0273 0.0333
Brugia malayi Cell death protein 3 precursor 0.0032 0.1651 1
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Plasmodium falciparum metacaspase 1 0.0032 0.1651 0.1617
Trypanosoma cruzi metacaspase, putative 0.0032 0.1651 0.3302
Echinococcus granulosus caspase 0.012 0.8188 1
Onchocerca volvulus 0.002 0.077 0.361
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.077 0.0941
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.4999 1
Brugia malayi Cathepsin L-like precursor 0.002 0.077 0.4666
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Trypanosoma cruzi metacaspase, putative 0.0032 0.1651 0.3302
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1651 1
Brugia malayi Cathepsin L-like precursor 0.002 0.077 0.4666
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Trypanosoma brucei metacaspase 0.0032 0.1651 0.3302
Trypanosoma brucei metacaspase MCA2 0.0032 0.1651 0.3302
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.8188 1
Brugia malayi Cathepsin L-like precursor 0.002 0.077 0.4666
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.077 0.0941
Leishmania major cathepsin L-like protease 0.002 0.077 0.1541
Entamoeba histolytica cysteine proteinase 1, putative 0.001 0.004 0.0526
Loa Loa (eye worm) hypothetical protein 0.0014 0.0273 0.1652
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0144 1 1
Brugia malayi cathepsin L-like precursor 0.0014 0.0273 0.1652
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1651 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.1651 0.2016
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.077 0.1541
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.1651 0.3302
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Trypanosoma cruzi metacaspase, putative 0.0032 0.1651 0.3302
Brugia malayi Cathepsin L-like precursor 0.0014 0.0273 0.1652
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Plasmodium vivax hypothetical protein, conserved 0.0032 0.1651 0.1651
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1651 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.004 0.0081
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.004 0.0245
Trypanosoma brucei metacaspase MCA3 0.0032 0.1651 0.3302
Echinococcus multilocularis cysteine protease 0.002 0.077 0.0941
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.077 0.4666
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.3772 0.7545
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Onchocerca volvulus 0.002 0.077 0.361
Onchocerca volvulus 0.002 0.077 0.361
Loa Loa (eye worm) hypothetical protein 0.0032 0.1651 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0014 0.0273 0.1652
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.077 0.0733
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.077 0.0941
Entamoeba histolytica cysteine proteinase 2 0.001 0.004 0.0526
Onchocerca volvulus 0.002 0.077 0.361
Echinococcus multilocularis caspase 3 0.0088 0.5802 0.7086
Echinococcus granulosus cathepsin l1 0.002 0.077 0.0941
Loa Loa (eye worm) hypothetical protein 0.002 0.077 0.4666
Trypanosoma cruzi cysteine proteinase, putative 0.001 0.004 0.0081
Leishmania major cathepsin L-like protease 0.0077 0.4999 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.8188 1
Echinococcus multilocularis cathepsin L 0.001 0.004 0.0049
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.1651 1
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0135 0.9293 1
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.8188 1
Loa Loa (eye worm) cysteine protease 0.002 0.077 0.4666
Loa Loa (eye worm) hypothetical protein 0.0014 0.0273 0.1652
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.077 0.4666
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.1651 0.1033
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.001 0.004 0.0081
Entamoeba histolytica cysteine proteinase, putative 0.0014 0.0273 0.354
Trypanosoma brucei Metacaspase-4 0.0032 0.1651 0.3302
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.1651 0.2016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1651 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.4999 1
Echinococcus multilocularis caspase 0.012 0.8188 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.077 0.4666
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1651 1
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.8188 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.1651 0.1033
Leishmania major metacaspase, putative 0.0032 0.1651 0.3302
Onchocerca volvulus 0.002 0.077 0.361
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.004 0.0049
Echinococcus granulosus caspase 3 0.0088 0.5802 0.7086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Entamoeba histolytica cysteine protease, putative 0.001 0.004 0.0526
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.077 0.0941
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Entamoeba histolytica cysteine proteinase, putative 0.001 0.004 0.0526
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Brugia malayi Cathepsin L-like precursor 0.0014 0.0273 0.1652
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Plasmodium vivax vivapain-2 0.002 0.077 0.077
Plasmodium vivax metacaspase 1, putative 0.0032 0.1651 0.1651
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.077 0.4666
Brugia malayi Papain family cysteine protease containing protein 0.001 0.004 0.0245
Giardia lamblia Kinase, CAMK CAMKL 0.001 0 0.5
Entamoeba histolytica cysteine protease, putative 0.002 0.077 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.077 0.4666
Giardia lamblia Kinase, CAMK CAMKL 0.001 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.4999 1
Echinococcus granulosus cysteine protease 0.001 0.004 0.0049
Echinococcus granulosus cathepsin l1 0.0014 0.0273 0.0333
Trypanosoma cruzi cysteine peptidase, putative 0.001 0.004 0.0081
Echinococcus granulosus caspase 8 0.0032 0.1651 0.2016
Entamoeba histolytica cysteine proteinase, putative 0.001 0.004 0.0526
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.004 0.0081
Onchocerca volvulus 0.002 0.077 0.361

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = -0.94 Mutagenic activity of the compound was tested in an Ames test on S. typhimurium TA98; Activity is log of revertants/nmol ChEMBL. 1995902
IC50 (functional) = 3.88 Anticancer activity against human U937 cells by MTS assay ChEMBL. 20056518
IC50 (binding) = 1 uM Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate ChEMBL. 21324681
IC50 (binding) = 5.9 uM Inhibition of Plasmodium falciparum cyclin-dependent kinase ChEMBL. 15481979
IC50 (binding) = 5.9 uM Inhibition of Plasmodium falciparum cyclin-dependent kinase ChEMBL. 15481979
IC50 (binding) >> 10 uM Inhibitory activity against the Trypanosoma cruzi cysteine protease cruzain ChEMBL. 14505663
IC50 (binding) >> 10 uM Inhibitory activity against T. brucei rhodensiense cysteine protease rhodesain ChEMBL. 14505663
IC50 (binding) >> 10 uM Inhibitory activity against the Trypanosoma cruzi cysteine protease cruzain ChEMBL. 14505663
IC50 (binding) >> 10 uM Inhibitory activity against T. brucei rhodensiense cysteine protease rhodesain ChEMBL. 14505663
IC50 (binding) = 42.6 uM Inhibitory activity was tested against Falcipain-2 ChEMBL. 14505663
IC50 (binding) = 42.6 uM Inhibitory activity was tested against Falcipain-2 ChEMBL. 14505663
IC50 (ADMET) = 132 uM Cytotoxicity against human U937 cells ChEMBL. 17088067
IC50 (ADMET) = 132 uM Cytotoxicity against human U937 cells ChEMBL. 17088067
Inhibition (binding) = 60 % Inhibition of Arabidopsis thaliana AHAS at 100 mg/L colorimetric assay ChEMBL. 21838297
Ki (binding) = 6.43 uM Inhibition of rabbit liver carboxylesterase expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human intestinal carboxylesterase expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human liver CE1 expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human AChE ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human BChE ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human liver CE1 expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human AChE ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human BChE ChEMBL. 17378546
logP (ADMET) = 0.47 Partition coefficient (logP) ChEMBL. 1995902
Potency (functional) 21.8349 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 68.4501 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) 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

7 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.