Detailed information for compound 1432848

Basic information

Technical information
  • TDR Targets ID: 1432848
  • Name: 3-(3-methylphenoxy)-5-nitroaniline
  • MW: 244.246 | Formula: C13H12N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cc(Oc2cccc(c2)C)cc(c1)[N+](=O)[O-]
  • InChi: 1S/C13H12N2O3/c1-9-3-2-4-12(5-9)18-13-7-10(14)6-11(8-13)15(16)17/h2-8H,14H2,1H3
  • InChiKey: NSXLIPDZVDBJCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-methylphenoxy)-5-nitro-aniline
  • AG-690/32529031
  • MLS000579171
  • Oprea1_492027
  • SMR000186758
  • STK315321
  • ZINC00432424
  • [3-(3-methylphenoxy)-5-nitro-phenyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Brugia malayi Cathepsin L-like precursor 0.0093 0.4715 0.4715
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.005 0.1912 0.1912
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Echinococcus granulosus cathepsin l1 0.0064 0.2804 0.2896
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0154 0.8625 0.8625
Echinococcus multilocularis cathepsin L 0.005 0.1912 0.1912
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1999 0.424
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Echinococcus multilocularis cathepsin b 0.0154 0.8625 0.8625
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1999 0.2065
Onchocerca volvulus 0.0093 0.4715 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9682 1
Onchocerca volvulus 0.0093 0.4715 1
Brugia malayi cathepsin F-like cysteine proteinase 0.003 0.0578 0.0578
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0154 0.8625 1
Echinococcus granulosus cathepsin L cysteine protease 0.005 0.1912 0.1974
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Brugia malayi Papain family cysteine protease containing protein 0.005 0.1912 0.1912
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1999 0.424
Schistosoma mansoni cathepsin s 0.003 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Brugia malayi Cathepsin L-like precursor 0.0093 0.4715 0.4715
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0137 0.5
Leishmania major cysteine peptidase A (CPA) 0.0093 0.4715 1
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.4715 0.5467
Plasmodium vivax vivapain-3 0.005 0.1912 0.4054
Onchocerca volvulus 0.0064 0.2804 0.5946
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0137 0.029
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Schistosoma mansoni ap endonuclease 0.0023 0.0137 0.0137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Schistosoma mansoni cathepsin F (C01 family) 0.0093 0.4715 0.4715
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0093 0.4715 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0093 0.4715 0.4715
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0137 0.029
Trypanosoma cruzi cysteine protease, putative 0.005 0.1912 0.2216
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0093 0.4715 0.4715
Onchocerca volvulus 0.0093 0.4715 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.4715 0.4715
Echinococcus granulosus cathepsin b 0.0154 0.8625 0.8908
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0137 0.029
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Brugia malayi Cathepsin L-like precursor 0.0064 0.2804 0.2804
Schistosoma mansoni cathepsin F (C01 family) 0.0093 0.4715 0.4715
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.005 0.1912 0.2216
Entamoeba histolytica cysteine proteinase, putative 0.005 0.1912 0.4054
Plasmodium vivax unspecified product 0.003 0.0578 0.1225
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0137 0.0141
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0093 0.4715 0.4715
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0137 0.0159
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0093 0.4715 0.4715
Echinococcus granulosus cathepsin b 0.0154 0.8625 0.8908
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1722 0.3651
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Echinococcus granulosus cathepsin L 0.005 0.1912 0.1974
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Loa Loa (eye worm) hypothetical protein 0.0064 0.2804 0.2804
Onchocerca volvulus 0.0093 0.4715 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0137 0.0137
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.2668 0.2668
Plasmodium falciparum cysteine proteinase falcipain 3 0.0093 0.4715 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Entamoeba histolytica cysteine proteinase, putative 0.0064 0.2804 0.5946
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1999 0.424
Echinococcus multilocularis cathepsin b 0.0154 0.8625 0.8625
Trypanosoma cruzi cruzipain precursor, putative 0.0093 0.4715 0.5467
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1999 0.424
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0064 0.2804 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Trypanosoma cruzi cysteine proteinase, putative 0.005 0.1912 0.2216
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0064 0.2804 0.5946
Toxoplasma gondii cathepsin CPL 0.0093 0.4715 1
Giardia lamblia Cathepsin B precursor 0.0062 0.2668 1
Echinococcus multilocularis cysteine protease 0.0093 0.4715 0.4715
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0154 0.8625 0.8625
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0137 0.029
Brugia malayi Papain family cysteine protease containing protein 0.005 0.1912 0.1912
Giardia lamblia Cathepsin B precursor 0.0062 0.2668 1
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Plasmodium vivax unspecified product 0.005 0.1912 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.005 0.1912 0.4054
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0154 0.8625 0.8625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.1912 0.4054
Echinococcus granulosus cathepsin l cysteine peptidase 0.0093 0.4715 0.487
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Loa Loa (eye worm) ctsf protein 0.0093 0.4715 0.4715
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0137 0.029
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0137 0.029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.005 0.1912 0.1912
Brugia malayi Cathepsin L-like precursor 0.0093 0.4715 0.4715
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Onchocerca volvulus 0.0093 0.4715 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Entamoeba histolytica cysteine proteinase, putative 0.005 0.1912 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0064 0.2804 0.2804
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Brugia malayi cathepsin B-like cysteine proteinase 0.0154 0.8625 0.8625
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0137 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Plasmodium vivax vivapain-1 0.005 0.1912 0.4054
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Loa Loa (eye worm) acetyltransferase 0.0175 1 1
Brugia malayi Cathepsin L-like precursor 0.003 0.0578 0.0578
Onchocerca volvulus Cathepsin F homolog 0.0093 0.4715 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0154 0.8625 0.8625
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.005 0.1912 0.1912
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1999 0.424
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.1912 0.2216
Entamoeba histolytica cysteine proteinase 1, putative 0.005 0.1912 0.4054
Echinococcus multilocularis cathepsin L cysteine protease 0.0093 0.4715 0.4715
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.4715 0.4715
Loa Loa (eye worm) papain family cysteine protease containing protein 0.003 0.0578 0.0578
Brugia malayi Cathepsin L-like precursor 0.0064 0.2804 0.2804
Toxoplasma gondii cathepsin B 0.0062 0.2668 0.5658
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.1912 0.3876
Loa Loa (eye worm) fibroinase 0.0093 0.4715 0.4715
Plasmodium vivax vivapain-2 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0062 0.2668 0.5658
Trypanosoma cruzi cysteine peptidase, putative 0.003 0.0578 0.067
Onchocerca volvulus Cathepsin L homolog 0.0093 0.4715 1
Trypanosoma cruzi cruzipain precursor, putative 0.003 0.0578 0.067
Entamoeba histolytica cysteine protease, putative 0.0093 0.4715 1
Brugia malayi Cathepsin L-like precursor 0.0093 0.4715 0.4715
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0093 0.4715 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.2804 0.325
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.1912 0.3876
Loa Loa (eye worm) hypothetical protein 0.003 0.0578 0.0578
Trypanosoma cruzi cysteine proteinase, putative 0.005 0.1912 0.2216
Echinococcus multilocularis cysteine protease 0.0093 0.4715 0.4715
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.1912 0.4054
Onchocerca volvulus Cathepsin L homolog 0.0093 0.4715 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.2804 0.2804
Echinococcus granulosus cathepsin l1 0.0093 0.4715 0.487
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Entamoeba histolytica cysteine proteinase 2 0.005 0.1912 0.4054
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0137 0.0137
Echinococcus granulosus cathepsin L cysteine proteinase 0.0093 0.4715 0.487
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Echinococcus granulosus cysteine protease 0.005 0.1912 0.1974
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Loa Loa (eye worm) cathepsin B 0.0062 0.2668 0.2668
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Plasmodium vivax vivapain-2 0.0093 0.4715 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1722 0.3651
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0137 0.0513
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0062 0.2668 0.3093
Brugia malayi cathepsin L-like precursor 0.0064 0.2804 0.2804
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Onchocerca volvulus 0.0093 0.4715 1
Loa Loa (eye worm) cysteine protease 0.0093 0.4715 0.4715
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.4715 0.5467
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.4715 0.5467
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Onchocerca volvulus 0.0093 0.4715 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0093 0.4715 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0062 0.2668 0.5528
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0137 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0137 0.0159
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0137 0.0137
Echinococcus multilocularis cathepsin L cysteine protease 0.0093 0.4715 0.4715
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.003 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0093 0.4715 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0064 0.2804 0.2804
Loa Loa (eye worm) hypothetical protein 0.003 0.0578 0.0578
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.005 0.1912 0.4054
Schistosoma mansoni ap endonuclease 0.0023 0.0137 0.0137
Brugia malayi Cathepsin L-like precursor 0.0093 0.4715 0.4715
Entamoeba histolytica cysteine protease, putative 0.005 0.1912 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.4715 1
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.4715 0.5467
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.4715 1
Leishmania major cathepsin L-like protease 0.0093 0.4715 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.8625 0.8625
Brugia malayi Cathepsin L-like precursor 0.0093 0.4715 0.4715
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.4715 1
Giardia lamblia Cathepsin B precursor 0.0062 0.2668 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0062 0.2668 0.5528
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1722 0.6453
Entamoeba histolytica cysteine proteinase, putative 0.0093 0.4715 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.2804 0.2804
Entamoeba histolytica cysteine proteinase, putative 0.0093 0.4715 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0137 0.5
Entamoeba histolytica cysteine proteinase, putative 0.005 0.1912 0.4054

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 50 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) 0.0037 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) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 1.8526 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 (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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