Detailed information for compound 1440899

Basic information

Technical information
  • TDR Targets ID: 1440899
  • Name: (E)-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxyph enyl]-2-(4-methylphenyl)prop-2-enenitrile
  • MW: 387.388 | Formula: C22H17N3O4
  • H donors: 0 H acceptors: 4 LogP: 4.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1Oc1ccc(cn1)[N+](=O)[O-])/C=C(\c1ccc(cc1)C)/C#N
  • InChi: 1S/C22H17N3O4/c1-15-3-6-17(7-4-15)18(13-23)11-16-5-9-20(21(12-16)28-2)29-22-10-8-19(14-24-22)25(26)27/h3-12,14H,1-2H3/b18-11-
  • InChiKey: VJELSLCNUJWFLT-WQRHYEAKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
  • (E)-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]-2-(4-methylphenyl)acrylonitrile
  • (E)-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]-2-(4-methylphenyl)prop-2-enenitrile
  • BAS 08199505
  • MLS000557740
  • SMR000178594
  • ZINC04478321
  • (E)-3-[3-Methoxy-4-(5-nitro-pyridin-2-yloxy)-phenyl]-2-p-tolyl-acrylonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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
Trypanosoma cruzi cysteine protease, putative 0.1156 0.3317 0.2296
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Echinococcus multilocularis cathepsin L cysteine protease 0.2158 0.6238 0.6238
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.2158 0.6238 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0473 0.1325 0.1325
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1393 0.4008 0.5461
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Leishmania major cysteine peptidase A (CPA) 0.2158 0.6238 1
Entamoeba histolytica cysteine protease, putative 0.0473 0.1325 0.2033
Plasmodium vivax vivapain-1 0.1156 0.3317 0.4054
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Entamoeba histolytica hypothetical protein 0.0473 0.1325 0.2033
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.1156 0.3317 0.3317
Leishmania major cathepsin L-like protease 0.2158 0.6238 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0683 0.1936 0.1936
Entamoeba histolytica cysteine protease, putative 0.2158 0.6238 1
Entamoeba histolytica cysteine proteinase, putative 0.1156 0.3317 0.5263
Plasmodium falciparum cysteine proteinase falcipain 1 0.1156 0.3317 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0473 0.1325 0.1325
Echinococcus granulosus lamin 0.0033 0.0039 0.0039
Entamoeba histolytica cysteine proteinase, putative 0.2158 0.6238 1
Echinococcus multilocularis cathepsin L cysteine protease 0.2158 0.6238 0.6238
Loa Loa (eye worm) hypothetical protein 0.0473 0.1325 0.1325
Trypanosoma cruzi cruzipain precursor, putative 0.0683 0.1936 0.0705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Echinococcus granulosus cathepsin L 0.0473 0.1325 0.1325
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 0.1325 0.1325
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Loa Loa (eye worm) hypothetical protein 0.0473 0.1325 0.1325
Brugia malayi cathepsin L-like cysteine proteinase 0.0473 0.1325 0.1325
Loa Loa (eye worm) hypothetical protein 0.0473 0.1325 0.1325
Onchocerca volvulus 0.2158 0.6238 1
Brugia malayi Cathepsin L-like precursor 0.0683 0.1936 0.1936
Loa Loa (eye worm) hypothetical protein 0.0473 0.1325 0.1325
Onchocerca volvulus 0.2158 0.6238 1
Onchocerca volvulus 0.0473 0.1325 0.2073
Leishmania major cathepsin L-like protease 0.2158 0.6238 1
Echinococcus granulosus cathepsin l1 0.2158 0.6238 0.6238
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Trypanosoma cruzi cruzipain precursor, putative 0.2158 0.6238 0.5664
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1393 0.4008 0.4008
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2374 0.2374
Entamoeba histolytica cysteine protease, putative 0.0473 0.1325 0.2033
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.2158 0.6238 0.6238
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0064 0.0064
Echinococcus granulosus cathepsin L cysteine protease 0.1156 0.3317 0.3317
Echinococcus multilocularis cathepsin b 0.3448 1 1
Brugia malayi Cathepsin L-like precursor 0.2158 0.6238 0.6238
Entamoeba histolytica cysteine protease, putative 0.0473 0.1325 0.2033
Toxoplasma gondii cathepsin CPL 0.2158 0.6238 1
Brugia malayi Cathepsin L-like precursor 0.2158 0.6238 0.6238
Entamoeba histolytica cysteine proteinase, putative 0.1156 0.3317 0.5263
Loa Loa (eye worm) hypothetical protein 0.0286 0.0777 0.0777
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.1156 0.3317 0.3317
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Onchocerca volvulus Cathepsin L homolog 0.2158 0.6238 1
Loa Loa (eye worm) hypothetical protein 0.1475 0.4246 0.4246
Leishmania major cathepsin L-like protease 0.2158 0.6238 1
Brugia malayi Papain family cysteine protease containing protein 0.1156 0.3317 0.3317
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.2158 0.6238 0.6238
Brugia malayi Papain family cysteine protease containing protein 0.1156 0.3317 0.3317
Schistosoma mansoni cathepsin F (C01 family) 0.1475 0.4246 0.4246
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Loa Loa (eye worm) hypothetical protein 0.0683 0.1936 0.1936
Brugia malayi Cathepsin L-like cysteine proteinase 0.1475 0.4246 0.4246
Loa Loa (eye worm) hypothetical protein 0.1475 0.4246 0.4246
Echinococcus granulosus cathepsin L 0.1156 0.3317 0.3317
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Echinococcus multilocularis cysteine protease 0.2158 0.6238 0.6238
Onchocerca volvulus 0.2158 0.6238 1
Onchocerca volvulus 0.2158 0.6238 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Onchocerca volvulus 0.1475 0.4246 0.6787
Brugia malayi cathepsin F-like cysteine proteinase 0.0683 0.1936 0.1936
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0473 0.1325 0.1325
Plasmodium vivax vivapain-2 0.2158 0.6238 1
Echinococcus multilocularis cathepsin L 0.1156 0.3317 0.3317
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0473 0.1325 0.1325
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0365 0.0365
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Onchocerca volvulus Cathepsin L homolog 0.2158 0.6238 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1156 0.3317 0.4054
Leishmania major cathepsin L-like protease 0.2158 0.6238 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0114 0.0114
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0039 0.0039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1475 0.4246 0.5946
Echinococcus multilocularis cathepsin l cysteine peptidase 0.2158 0.6238 0.6238
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1393 0.4008 0.3093
Brugia malayi cathepsin L precursor 0.0473 0.1325 0.1325
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2374 0.2374
Brugia malayi hypothetical protein 0.0286 0.0777 0.0777
Brugia malayi Papain family cysteine protease containing protein 0.0473 0.1325 0.1325
Loa Loa (eye worm) hypothetical protein 0.0473 0.1325 0.1325
Schistosoma mansoni hypothetical protein 0.0205 0.0541 0.0541
Brugia malayi cathepsin F-like cysteine proteinase 0.0473 0.1325 0.1325
Echinococcus multilocularis cathepsin b 0.3448 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0039 0.0039
Onchocerca volvulus 0.2158 0.6238 1
Loa Loa (eye worm) hypothetical protein 0.1475 0.4246 0.4246
Loa Loa (eye worm) cysteine protease 0.2158 0.6238 0.6238
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0473 0.1325 0.2033
Echinococcus granulosus cathepsin L cysteine proteinase 0.2158 0.6238 0.6238
Loa Loa (eye worm) hypothetical protein 0.2158 0.6238 0.6238
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Plasmodium vivax unspecified product 0.1156 0.3317 0.4054
Leishmania major cathepsin L-like protease 0.2158 0.6238 1
Schistosoma mansoni hypothetical protein 0.0041 0.0064 0.0064
Echinococcus granulosus geminin 0.0205 0.0541 0.0541
Onchocerca volvulus 0.2158 0.6238 1
Entamoeba histolytica cysteine proteinase, putative 0.1156 0.3317 0.5263
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.012 0.012
Loa Loa (eye worm) cathepsin B 0.1393 0.4008 0.4008
Brugia malayi Papain family cysteine protease containing protein 0.0473 0.1325 0.1325
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Trypanosoma cruzi cysteine peptidase, putative 0.0683 0.1936 0.0705
Loa Loa (eye worm) hypothetical protein 0.3448 1 1
Onchocerca volvulus 0.0058 0.0114 0.0121
Brugia malayi hypothetical protein 0.0043 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0058 0.0114 0.0114
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0473 0.1325 0.1325
Echinococcus granulosus cathepsin b 0.3448 1 1
Echinococcus multilocularis lamin 0.0033 0.0039 0.0039
Brugia malayi Cathepsin L-like precursor 0.2158 0.6238 0.6238
Echinococcus multilocularis lamin dm0 0.0033 0.0039 0.0039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 0.1325 0.1325
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.3448 1 1
Brugia malayi fibroinase precursor 0.0473 0.1325 0.1325
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.2158 0.6238 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.2158 0.6238 0.6238
Schistosoma mansoni cathepsin F (C01 family) 0.2158 0.6238 0.6238
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Brugia malayi Cathepsin L-like precursor 0.2158 0.6238 0.6238
Echinococcus multilocularis cysteine protease 0.2158 0.6238 0.6238
Loa Loa (eye worm) hypothetical protein 0.0032 0.0038 0.0038
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1475 0.4246 0.5946
Echinococcus granulosus cathepsin b 0.3448 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.2158 0.6238 0.5664
Schistosoma mansoni cathepsin F (C01 family) 0.2158 0.6238 0.6238
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Leishmania major cathepsin L-like protease 0.2158 0.6238 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.2158 0.6238 0.6238
Brugia malayi MH2 domain containing protein 0.0144 0.0365 0.0365
Loa Loa (eye worm) fibroinase 0.2158 0.6238 0.6238
Schistosoma mansoni cathepsin B (C01 family) 0.0473 0.1325 0.1325
Brugia malayi cathepsin Z-like cysteine proteinase 0.0473 0.1325 0.1325
Brugia malayi Papain family cysteine protease containing protein 0.0473 0.1325 0.1325
Schistosoma mansoni hypothetical protein 0.0043 0.0071 0.0071
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Echinococcus multilocularis geminin 0.0205 0.0541 0.0541
Plasmodium falciparum cysteine proteinase falcipain 2a 0.2158 0.6238 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0473 0.1325 0.1325
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0473 0.1325 0.2033
Schistosoma mansoni intermediate filament proteins 0.0033 0.0039 0.0039
Schistosoma mansoni cathepsin C 0.0473 0.1325 0.1325
Plasmodium vivax vivapain-2 0.2158 0.6238 1
Giardia lamblia Cathepsin B precursor 0.1393 0.4008 1
Plasmodium vivax vivapain-3 0.1156 0.3317 0.4054
Entamoeba histolytica cysteine proteinase 1, putative 0.1156 0.3317 0.5263
Plasmodium vivax unspecified product 0.0683 0.1936 0.1245
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 0.1325 0.1325
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.3448 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Giardia lamblia Cathepsin B precursor 0.1393 0.4008 1
Echinococcus multilocularis musashi 0.0033 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0683 0.1936 0.1936
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0039 0.0039
Trypanosoma cruzi cysteine peptidase, putative 0.2158 0.6238 0.5664
Loa Loa (eye worm) hypothetical protein 0.006 0.012 0.012
Schistosoma mansoni lamin 0.0033 0.0039 0.0039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 0.1325 0.1325
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Echinococcus granulosus intermediate filament protein 0.0033 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0683 0.1936 0.1936
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0473 0.1325 0.1325
Echinococcus multilocularis cathepsin L 0.0473 0.1325 0.1325
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0039 0.0039
Schistosoma mansoni cathepsin S (C01 family) 0.0473 0.1325 0.1325
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.1156 0.3317 0.2296
Trypanosoma brucei cysteine peptidase C (CPC) 0.1393 0.4008 0.2365
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.3448 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0473 0.1325 0.1325
Schistosoma mansoni lamin 0.0033 0.0039 0.0039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Trypanosoma cruzi cysteine proteinase, putative 0.1156 0.3317 0.2296
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0473 0.1325 0.1325
Brugia malayi Papain family cysteine protease containing protein 0.2158 0.6238 0.6238
Schistosoma mansoni cathepsin s 0.0683 0.1936 0.1936
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0071 0.0071
Plasmodium falciparum cysteine proteinase falcipain 3 0.2158 0.6238 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0071 0.0071
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Trypanosoma cruzi cysteine proteinase, putative 0.1156 0.3317 0.2296
Brugia malayi Cathepsin L-like precursor 0.2158 0.6238 0.6238
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Brugia malayi Cathepsin L-like precursor 0.1475 0.4246 0.4246
Brugia malayi intermediate filament protein 0.0033 0.0039 0.0039
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0114 0.0114
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.1475 0.4246 0.3368
Entamoeba histolytica cysteine proteinase 2 0.1156 0.3317 0.5263
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Brugia malayi Cathepsin L-like precursor 0.2158 0.6238 0.6238
Echinococcus granulosus cathepsin l1 0.1475 0.4246 0.4246
Entamoeba histolytica cysteine protease, putative 0.0473 0.1325 0.2033
Schistosoma mansoni hypothetical protein 0.0205 0.0541 0.0541
Brugia malayi Cathepsin L-like precursor 0.1475 0.4246 0.4246
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0683 0.1936 0.1936
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Brugia malayi cathepsin L-like precursor 0.1475 0.4246 0.4246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.2158 0.6238 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 0.1325 0.1325
Giardia lamblia Cathepsin B precursor 0.1393 0.4008 1
Onchocerca volvulus Cathepsin L homolog 0.0473 0.1325 0.2073
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.3448 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.2158 0.6238 0.5664
Leishmania major cathepsin L-like protease 0.2158 0.6238 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2374 0.2374
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0365 0.0365
Entamoeba histolytica cysteine proteinase, putative 0.2158 0.6238 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1156 0.3317 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Entamoeba histolytica cysteine proteinase, putative 0.1156 0.3317 0.5263
Trypanosoma cruzi cysteine peptidase, putative 0.1156 0.3317 0.2296
Onchocerca volvulus 0.2158 0.6238 1
Loa Loa (eye worm) ctsf protein 0.2158 0.6238 0.6238
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2158 0.6238 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.2158 0.6238 1
Entamoeba histolytica cysteine proteinase, putative 0.1475 0.4246 0.677
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0777 0.0777
Toxoplasma gondii cathepsin B 0.1393 0.4008 0.5461
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Loa Loa (eye worm) hypothetical protein 0.0033 0.0039 0.0039
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0071 0.0071
Entamoeba histolytica cysteine protease, putative 0.1156 0.3317 0.5263
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.3448 1 1
Entamoeba histolytica cysteine protease, putative 0.0473 0.1325 0.2033
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.2158 0.6238 1
Onchocerca volvulus Cathepsin F homolog 0.2158 0.6238 1
Entamoeba histolytica cysteine protease, putative 0.0473 0.1325 0.2033
Loa Loa (eye worm) hypothetical protein 0.0473 0.1325 0.1325
Trypanosoma cruzi cysteine peptidase, putative 0.2158 0.6238 0.5664
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0777 0.0777
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.1156 0.3317 0.3317
Echinococcus granulosus cysteine protease 0.1156 0.3317 0.3317
Leishmania major cathepsin L-like protease 0.2158 0.6238 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 2.9093 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) 8.2753 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) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) = 25.1189 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] 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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