Detailed information for compound 1454137

Basic information

Technical information
  • TDR Targets ID: 1454137
  • Name: (3,5-dimethylpyrazol-1-yl)-(3,5-dinitrophenyl )methanone
  • MW: 290.232 | Formula: C12H10N4O5
  • H donors: 0 H acceptors: 6 LogP: 2.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(c1)C)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
  • InChi: 1S/C12H10N4O5/c1-7-3-8(2)14(13-7)12(17)9-4-10(15(18)19)6-11(5-9)16(20)21/h3-6H,1-2H3
  • InChiKey: RGFXDXIJIATMPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3,5-dimethyl-1-pyrazolyl)-(3,5-dinitrophenyl)methanone
  • MLS001205089
  • SMR000513870
  • STOCK1S-11471
  • (3,5-Dimethyl-pyrazol-1-yl)-(3,5-dinitro-phenyl)-methanone
  • BAS 00396285
  • ZINC02227727

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0005 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0491 0.0491
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0813 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0491 0.5383
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0888 0.0888
Echinococcus granulosus cathepsin l1 0.0012 0.0175 0.0291
Loa Loa (eye worm) hypothetical protein 0.002 0.0546 0.0546
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0888 0.0888
Echinococcus granulosus cathepsin L 0.001 0.0028 0.0046
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0546 0.3412
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Onchocerca volvulus 0.0018 0.0491 0.0537
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0546 0.6605
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0813 0.2494
Leishmania major cathepsin L-like protease 0.0018 0.0491 0.0434
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.2859 0.8997
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0491 0.0814
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0369 0.4513
Brugia malayi Latrophilin receptor protein 2 0.0064 0.2847 0.2847
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0005 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0888 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0491 0.0814
Onchocerca volvulus 0.0018 0.0491 0.0537
Brugia malayi hypothetical protein 0.0009 0.0005 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Echinococcus multilocularis cathepsin L 0.001 0.0028 0.0046
Loa Loa (eye worm) hypothetical protein 0.002 0.0546 0.0546
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0005 0.0008
Loa Loa (eye worm) hypothetical protein 0.0025 0.0813 0.0813
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.6345 0.6345
Brugia malayi Cathepsin L-like precursor 0.0012 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0184 0.9057 0.9057
Schistosoma mansoni hypothetical protein 0.0064 0.2847 0.4256
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0026 0.0888 0.0888
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.2847 0.4718
Loa Loa (eye worm) hypothetical protein 0.002 0.0546 0.0546
Mycobacterium ulcerans hypothetical protein 0.0026 0.0888 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0888 0.185
Leishmania major cathepsin L-like protease 0.007 0.3174 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0005 0.0008
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0888 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0005
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0491 0.0814
Onchocerca volvulus 0.0018 0.0491 0.0537
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0369 0.1085
Echinococcus granulosus cathepsin l1 0.0018 0.0491 0.0814
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0491 0.1472
Leishmania major cathepsin L-like protease 0.007 0.3174 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0813 1
Schistosoma mansoni hypothetical protein 0.0138 0.6689 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.2847 0.2847
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0175 0.1713
Brugia malayi Cathepsin L-like precursor 0.0018 0.0491 0.0491
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.2847 0.2847
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0005 0.0008
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0109 0.018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0175 0.3182
Loa Loa (eye worm) hypothetical protein 0.0012 0.0175 0.0175
Schistosoma mansoni hypothetical protein 0.0064 0.2847 0.4256
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Toxoplasma gondii cathepsin CPL 0.0018 0.0491 0.6018
Brugia malayi RNA binding protein 0.0126 0.6034 0.6034
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.3174 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0005 0.0008
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0888 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0175 0.0175
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0888 0.185
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0888 1
Brugia malayi latrophilin 2 splice variant baaae 0.0138 0.6689 0.6689
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0369 0.0369
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0005 0.0008
Schistosoma mansoni tar DNA-binding protein 0.0126 0.6034 0.9021
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0888 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0491 0.0491
Schistosoma mansoni tar DNA-binding protein 0.0126 0.6034 0.9021
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0369 0.0369
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0491 0.0814
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0175 0.0262
Echinococcus multilocularis GPCR, family 2 0.0064 0.2847 0.4718
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Echinococcus granulosus cysteine protease 0.001 0.0028 0.0046
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0491 0.0491
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.2847 0.4718
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0813 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0175 0.0175
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Echinococcus granulosus GPCR family 2 0.0064 0.2847 0.4718
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.6034 0.6034
Loa Loa (eye worm) hypothetical protein 0.0138 0.6689 0.6689
Echinococcus granulosus tar DNA binding protein 0.0126 0.6034 1
Leishmania major cathepsin L-like protease 0.0018 0.0491 0.0434
Brugia malayi Cathepsin L-like precursor 0.0012 0.0175 0.0175
Schistosoma mansoni dishevelled 0.0009 0.0005 0.0007
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0888 1
Leishmania major hypothetical protein, conserved 0.0025 0.0813 0.1581
Brugia malayi isocitrate dehydrogenase 0.0016 0.0369 0.0369
Onchocerca volvulus 0.0012 0.0175 0.0188
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0005 0.0005
Onchocerca volvulus 0.0018 0.0491 0.0537
Schistosoma mansoni hypothetical protein 0.0064 0.2847 0.4256
Loa Loa (eye worm) hypothetical protein 0.0026 0.0888 0.0888
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0491 0.2348
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0491 0.2348
Leishmania major cathepsin L-like protease 0.0018 0.0491 0.0434
Schistosoma mansoni tar DNA-binding protein 0.0126 0.6034 0.9021
Loa Loa (eye worm) hypothetical protein 0.002 0.0546 0.0546
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0175 0.3182
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0491 0.0491
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0491 0.0491
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0491 0.59
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Onchocerca volvulus 0.0018 0.0491 0.0537
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0028 0.0042
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Echinococcus multilocularis tar DNA binding protein 0.0126 0.6034 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0369 0.1085
Schistosoma mansoni dishevelled 0.0009 0.0005 0.0007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0203 1 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0369 0.0552
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0491 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0005 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Brugia malayi hypothetical protein 0.0009 0.0005 0.0005
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0005 0.0008
Loa Loa (eye worm) TAR-binding protein 0.0126 0.6034 0.6034
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0491 0.0537
Loa Loa (eye worm) ctsf protein 0.0018 0.0491 0.0491
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0491 1
Schistosoma mansoni hypothetical protein 0.0064 0.2847 0.4256
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0369 0.0612
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0005 0.0007
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0005 0.0008
Onchocerca volvulus 0.0018 0.0491 0.0537
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0028 0.0042
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0888 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0813 1
Trypanosoma cruzi cruzipain precursor, putative 0.007 0.3174 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0369 0.0612
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0546 0.6605
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0005 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Echinococcus multilocularis cysteine protease 0.0018 0.0491 0.0814
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0491 0.2348
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0005 0.0005
Loa Loa (eye worm) fibroinase 0.0018 0.0491 0.0491
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0888 0.0888
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0888 1
Brugia malayi cathepsin L-like precursor 0.0012 0.0175 0.0175
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0888 0.5
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0005 0.0008
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0491 0.59
Loa Loa (eye worm) hypothetical protein 0.0018 0.0491 0.0491
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0369 0.435
Onchocerca volvulus 0.0026 0.0888 0.0976
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0888 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0888 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.2396 0.7525
Echinococcus multilocularis cysteine protease 0.0018 0.0491 0.0814
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0491 0.0814
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0491 0.2348
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0491 0.0814
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0491 0.0537
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.3174 1
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0028 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0175 0.0175
Schistosoma mansoni tar DNA-binding protein 0.0126 0.6034 0.9021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0184 0.9057 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0369 0.4513
Leishmania major cathepsin L-like protease 0.007 0.3174 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.6345 0.6345
Schistosoma mansoni hypothetical protein 0.0011 0.0109 0.0163
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0888 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Brugia malayi hypothetical protein 0.0025 0.0813 0.0813
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.2847 0.4718
Loa Loa (eye worm) hypothetical protein 0.0026 0.0888 0.0888
Brugia malayi Calcitonin receptor-like protein seb-1 0.0203 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0491 1
Loa Loa (eye worm) cysteine protease 0.0018 0.0491 0.0491
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0491 0.0734
Entamoeba histolytica cysteine protease, putative 0.0018 0.0491 0.5383
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0888 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0491 0.5383
Brugia malayi DIX domain containing protein 0.0009 0.0005 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0369 0.0612
Loa Loa (eye worm) RNA binding protein 0.0126 0.6034 0.6034
Leishmania major cathepsin L-like protease 0.0018 0.0491 0.0434
Onchocerca volvulus 0.0018 0.0491 0.0537
Leishmania major cathepsin L-like protease 0.0018 0.0491 0.0434
Plasmodium vivax vivapain-2 0.0018 0.0491 0.59
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0369 0.1085
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0491 0.59
Brugia malayi TAR-binding protein 0.0126 0.6034 0.6034
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0109 0.018
Loa Loa (eye worm) hypothetical protein 0.0064 0.2847 0.2847
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0369 0.435
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.2847 0.4718
Brugia malayi N-terminal motif family protein 0.0184 0.9057 0.9057
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0888 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0005
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0813 0.2494
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0028 0.0042
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0491 0.0537
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0369 0.0612
Brugia malayi hypothetical protein 0.0016 0.036 0.036
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.6034 0.6034
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.0028 0.0046
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0491 0.0734
Schistosoma mansoni tar DNA-binding protein 0.0126 0.6034 0.9021
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.3174 1
Brugia malayi MH2 domain containing protein 0.0132 0.6345 0.6345
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0491 0.0491
Brugia malayi Cathepsin L-like precursor 0.0018 0.0491 0.0491
Schistosoma mansoni dep domain containing protein 0.0009 0.0005 0.0007
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0888 0.185
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0369 0.1085
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0369 0.0612
Plasmodium vivax vivapain-2 0.0018 0.0491 0.59
Brugia malayi Cathepsin L-like precursor 0.0018 0.0491 0.0491
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0369 0.0612
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.3174 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0546 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0005 0.0005
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0813 0.2494
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0491 1
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0491 0.0434

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5221 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) 13.1154 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) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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