Detailed information for compound 1003084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.203 | Formula: C14H11NNaO8P
  • H donors: 3 H acceptors: 4 LogP: -1.45 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1C=C2[C@H]([C@H]3[C@@H]1OP(=O)(O3)[O-])NC(=O)c1c2cc2OCOc2c1.[Na+]
  • InChi: 1S/C14H12NO8P.Na/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(17)15-11(6)13-12(8)22-24(18,19)23-13;/h1-3,8,11-13,16H,4H2,(H,15,17)(H,18,19);/q;+1/p-1/t8-,11+,12+,13-;/m0./s1
  • InChiKey: XCKKHOCUQNSJOR-KCCDOBPASA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0676 0.5625
Loa Loa (eye worm) Smad1 0.0008 0.0054 0.0102
Echinococcus granulosus apoptotic protease activating factor 1 0.0032 0.0615 0.0588
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0112 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0117 0.1562
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0676 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0676 0.1634
Brugia malayi pyruvate kinase 0.0007 0.0026 0.0049
Schistosoma mansoni thyroid hormone receptor 0.001 0.0105 0.0105
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0112 0.0211
Trichomonas vaginalis rotamase, putative 0.0033 0.0658 0.9707
Trypanosoma brucei unspecified product 0.002 0.0329 0.3432
Echinococcus multilocularis caspase 2 0.0032 0.0615 0.0588
Leishmania major small ubiquitin protein, putative 0.0031 0.061 0.6366
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0112 0.0211
Leishmania major DNA polymerase eta, putative 0.0046 0.0958 1
Toxoplasma gondii small ubiquitin family modifier, putative 0.0031 0.061 0.5074
Loa Loa (eye worm) hypothetical protein 0.0046 0.0958 0.1813
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0105 0.0076
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0105 0.0076
Schistosoma mansoni coup transcription factor 0.001 0.0105 0.0105
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0676 0.128
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0658 0.6865
Echinococcus multilocularis expressed protein 0.0034 0.0677 0.065
Schistosoma mansoni rotamase 0.0034 0.0677 0.0677
Brugia malayi MH1 domain containing protein 0.0008 0.0054 0.0102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0105 0.0198
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.2814 0.5327
Echinococcus multilocularis cpg binding protein 0.0031 0.0605 0.0578
Onchocerca volvulus 0.003 0.0565 0.1315
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0329 0.0329
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0105 0.0076
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0105 0.0076
Loa Loa (eye worm) SMO-1 protein 0.0031 0.061 0.1154
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0.0103 0.5
Plasmodium vivax small ubiquitin-related modifier, putative 0.0031 0.061 0.902
Brugia malayi Fli-1 protein 0.0225 0.5283 1
Echinococcus multilocularis Eukaryotic translation initiation factor 4H 0.0138 0.3182 0.3162
Echinococcus multilocularis smad 0.0008 0.0054 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0105 0.0198
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0676 0.128
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0105 0.0198
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0427 0.5727
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0105 0.0198
Echinococcus granulosus pyruvate kinase 0.0018 0.0275 0.0247
Loa Loa (eye worm) hypothetical protein 0.0011 0.0112 0.0211
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0112 0.0211
Echinococcus granulosus Small ubiquitin modifier 2 0.0031 0.061 0.0582
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0329 0.3432
Loa Loa (eye worm) hypothetical protein 0.0138 0.3182 0.6023
Echinococcus multilocularis pyruvate kinase 0.0018 0.0275 0.0247
Brugia malayi hypothetical protein 0.0032 0.0615 0.1165
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0105 0.0198
Giardia lamblia Pyruvate kinase 0.0018 0.0275 0.4067
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0054 0.0025
Brugia malayi MH1 domain containing protein 0.0008 0.0054 0.0102
Loa Loa (eye worm) hypothetical protein 0.0032 0.0615 0.1165
Schistosoma mansoni smad 0.0008 0.0054 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.001 0.0103 0.1074
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0105 0.0198
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0329 0.3432
Echinococcus multilocularis dna polymerase eta 0.0046 0.0958 0.0932
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0112 0.0083
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0105 0.0076
Brugia malayi Cell death protein 3 precursor 0.0032 0.0615 0.1165
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0054 0.0102
Schistosoma mansoni thyroid hormone receptor 0.001 0.0105 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0105 0.0198
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0329 0.3432
Leishmania major DNA polymerase eta, putative 0.0032 0.0629 0.6568
Brugia malayi MH2 domain containing protein 0.0123 0.2814 0.5327
Loa Loa (eye worm) fli-1 protein 0.0225 0.5283 1
Schistosoma mansoni cpg binding protein 0.0031 0.0605 0.0605
Schistosoma mansoni smad1 5 8 and 0.0008 0.0054 0.0054
Onchocerca volvulus 0.0011 0.0117 0.0036
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.007 0.0132
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0105 0.0198
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0105 0.0105
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0105 0.0076
Brugia malayi MH2 domain containing protein 0.0008 0.0054 0.0102
Trypanosoma brucei unspecified product 0.0014 0.0181 0.1887
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0105 0.0076
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1202 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0677 0.1282
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0105 0.0076
Giardia lamblia Pyruvate kinase 0.0034 0.0676 1
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0112 0.0083
Echinococcus multilocularis ubiquitin 0.0011 0.0117 0.0088
Echinococcus granulosus pyruvate kinase 0.0018 0.0275 0.0247
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0105 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0105 0.0198
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0658 0.5472
Echinococcus granulosus pyruvate kinase 0.0034 0.0676 0.0649
Plasmodium falciparum small ubiquitin-related modifier 0.0031 0.061 0.902
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0105 0.0198
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0112 0.0083
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0112 0.0083
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0565 0.1069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0105 0.0198
Schistosoma mansoni smad1 5 8 and 0.0008 0.0054 0.0054
Trypanosoma cruzi small ubiquitin protein, putative 0.0031 0.061 0.6366
Echinococcus multilocularis Smad4 0.0008 0.0054 0.0025
Onchocerca volvulus 0.0156 0.3601 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0105 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0105 0.0198
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0427 0.0808
Echinococcus multilocularis pyruvate kinase 0.0018 0.0275 0.0247
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.1641 0.1616
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0658 1
Echinococcus granulosus expressed protein 0.0034 0.0677 0.065
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0676 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0105 0.0076
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0105 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0677 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0676 0.128
Onchocerca volvulus 0.0032 0.0615 0.1461
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0676 0.128
Trypanosoma cruzi small ubiquitin protein, putative 0.0031 0.061 0.6366
Brugia malayi MH2 domain containing protein 0.0008 0.0054 0.0102
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0112 0.0083
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0112 0.0112
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0029 0.0029
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0958 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0105 0.0198
Echinococcus multilocularis ets variant gene 4 0.0011 0.0112 0.0083
Schistosoma mansoni Smad4 0.0008 0.0054 0.0054
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0329 0.0301
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0181 0.1887
Echinococcus multilocularis dnaJ subfamily B 0.0421 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0112 0.0211
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0676 0.7057
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0105 0.0198
Brugia malayi RNA binding protein 0.0138 0.3182 0.6023
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0958 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0329 0.0329
Brugia malayi hypothetical protein 0.0156 0.3601 0.6816
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Loa Loa (eye worm) hypothetical protein 0.0063 0.1381 0.2615
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0105 0.0198
Echinococcus granulosus dna polymerase eta 0.0046 0.0958 0.0932
Schistosoma mansoni hypothetical protein 0.0421 1 1
Schistosoma mansoni gabp alpha 0.0074 0.1641 0.1641
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0676 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0054 0.0054
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0105 0.0076
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0105 0.0198
Brugia malayi nuclear receptor NHR-88 0.001 0.0105 0.0198
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0103 0.1074
Schistosoma mansoni ets-related 0.0225 0.5283 0.5283
Brugia malayi CXXC zinc finger family protein 0.003 0.0565 0.1069
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0329 0.4751
Echinococcus multilocularis pyruvate kinase 0.0027 0.0502 0.0475
Chlamydia trachomatis pyruvate kinase 0.0034 0.0676 0.5
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0138 0.3182 0.3182
Loa Loa (eye worm) hypothetical protein 0.0011 0.0117 0.0222
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0329 0.3432
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0676 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0105 0.0198
Echinococcus multilocularis Small ubiquitin modifier 2 0.0031 0.061 0.0582
Echinococcus multilocularis apoptotic protease activating factor 1 0.0032 0.0615 0.0588
Brugia malayi Ubiquitin-like protein SMT3 0.0031 0.061 0.1154
Echinococcus granulosus ubiquitin 0.0011 0.0117 0.0088
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0112 0.0083
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0105 0.0076
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Trypanosoma brucei small ubiquitin-related modifier 0.0031 0.061 0.6366
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0629 0.5235
Schistosoma mansoni pyruvate kinase 0.0034 0.0676 0.0676
Brugia malayi transcription factor E74 isoform 0.0011 0.0112 0.0211
Plasmodium falciparum pyruvate kinase 0.0034 0.0676 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0105 0.0198
Echinococcus granulosus cpg binding protein 0.0031 0.0605 0.0578
Echinococcus granulosus protein C ets 2 0.0011 0.0112 0.0083
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0112 0.0083
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0044
Echinococcus multilocularis pyruvate kinase 0.0034 0.0676 0.0649
Brugia malayi Ets-domain containing protein 0.0074 0.1641 0.3106
Echinococcus multilocularis protein C ets 2 0.0011 0.0112 0.0083
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0329 0.4863
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.1641 0.1616
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0112 0.0083
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0676 0.1634
Giardia lamblia DINP protein human, muc B family 0.002 0.0329 0.4863
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0958 0.1813
Loa Loa (eye worm) hypothetical protein 0.0032 0.0615 0.1165
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0658 0.6865
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0105 0.0198
Echinococcus granulosus pyruvate kinase 0.0018 0.0275 0.0247
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0112 0.0083
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0676 0.7057
Echinococcus multilocularis pyruvate kinase 0.0034 0.0676 0.0649
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0181 0.1887
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0275 0.4067
Onchocerca volvulus Cell death protein 3 homolog 0.0032 0.0615 0.1461
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0105 0.0198
Entamoeba histolytica ubiquitin like protein 0.0031 0.061 0.9115
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0138 0.3182 0.3182
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0329 0.3432
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0105 0.0105
Schistosoma mansoni ets 0.0011 0.0112 0.0112
Schistosoma mansoni pyruvate kinase 0.0018 0.0275 0.0275
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0329 0.3432
Schistosoma mansoni hypothetical protein 0.0011 0.0112 0.0112
Echinococcus granulosus caspase 2 0.0032 0.0615 0.0588
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0181 0.1887
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0105 0.0198
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0329 0.0622
Schistosoma mansoni hypothetical protein 0.0032 0.0615 0.0615
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0105 0.0076
Brugia malayi steroid hormone receptor 0.001 0.0105 0.0198
Schistosoma mansoni DNA polymerase eta 0.0046 0.0958 0.0958
Echinococcus granulosus FTZ F1 alpha 0.001 0.0105 0.0076
Echinococcus granulosus dna polymerase kappa 0.002 0.0329 0.0301
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0054 0.0025
Echinococcus multilocularis pyruvate kinase 0.0018 0.0275 0.0247
Schistosoma mansoni nuclear hormone receptor 0.001 0.0105 0.0105
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0112 0.0083
Echinococcus granulosus Smad4 0.0008 0.0054 0.0025
Trypanosoma brucei unspecified product 0.0014 0.0181 0.1887
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0105 0.0076
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0676 0.1634
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0329 0.0622
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0105 0.0105
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0101 0.0192
Trichomonas vaginalis rotamase, putative 0.0034 0.0677 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Echinococcus multilocularis dna polymerase kappa 0.002 0.0329 0.0301
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0054 0.0102
Leishmania major pyruvate kinase 0.0034 0.0676 0.7057
Schistosoma mansoni ets-related 0.0011 0.0112 0.0112
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0676 0.7057
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0329 0.3432
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.0615 0.0615
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0105 0.0105
Giardia lamblia Sentrin 0.0031 0.061 0.902
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1363 0.1363
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.2814 0.5327
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0105 0.0105
Brugia malayi pyruvate kinase, muscle isozyme 0.0007 0.0026 0.0049
Schistosoma mansoni hypothetical protein 0.0011 0.0112 0.0112
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0329 0.3432
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0105 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0105 0.0198
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0329 0.4863
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0105 0.0105
Brugia malayi nuclear hormone receptor 0.001 0.0105 0.0198
Brugia malayi ecdysteroid receptor 0.001 0.0105 0.0198
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0676 0.9984
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0677 0.1282
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0103 0.1074
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0658 0.6865
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.0031 0.061 0.061
Schistosoma mansoni smad1 5 8 and 0.0008 0.0054 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.061 0.8986
Trichomonas vaginalis ubiquitin, putative 0.0011 0.0117 0.1562
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0103 0.1074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0105 0.0198
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0275 0.4067
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0275 0.2288
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0329 0.0301
Schistosoma mansoni cpg binding protein 0.0031 0.0605 0.0605
Brugia malayi Smad1 0.0008 0.0054 0.0102
Schistosoma mansoni elf1 0.0011 0.0112 0.0112
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0329 0.3915
Loa Loa (eye worm) pyruvate kinase 0.0007 0.0026 0.0049
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0138 0.3182 0.3182
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0054 0.0025
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0072 0.0137
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0676 0.7057
Loa Loa (eye worm) hypothetical protein 0.0156 0.3601 0.6816
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0329 0.4751
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0112 0.0083
Echinococcus granulosus Eukaryotic translation initiation factor 4H 0.0138 0.3182 0.3162
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0198
Leishmania major DNA polymerase kappa, putative 0.002 0.0329 0.3432
Brugia malayi Ets-domain containing protein 0.0074 0.1641 0.3106
Leishmania major pyruvate kinase 0.0034 0.0676 0.7057
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0105 0.0076
Schistosoma mansoni pyruvate kinase 0.0034 0.0676 0.0676
Loa Loa (eye worm) hypothetical protein 0.0024 0.0427 0.0808
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0676 0.9984
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.001 0.0103 0.0856
Brugia malayi Ets-domain containing protein 0.0011 0.0112 0.0211
Brugia malayi hypothetical protein 0.0011 0.0117 0.0222
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.1641 0.3106
Schistosoma mansoni cpg binding protein 0.003 0.0565 0.0565
Echinococcus granulosus pyruvate kinase 0.0034 0.0676 0.0649
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0105 0.0198
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0112 0.0083
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0658 0.6865
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0105 0.0076
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0629 0.6568
Loa Loa (eye worm) hypothetical protein 0.0034 0.0676 0.128
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0676 0.128
Echinococcus granulosus smad 0.0008 0.0054 0.0025
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0112 0.0211
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0054 0.0025
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0105 0.0105
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0044
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0329 0.3432

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 1.7 ug ml-1 Cytotoxicity against mouse P388 cells ChEMBL. 15730244
GI50 (functional) = 3.9 ug ml-1 Cytotoxicity against human DU145 cells ChEMBL. 15730244
GI50 (functional) = 4 ug ml-1 Cytotoxicity against human MCF7 cells ChEMBL. 15730244
GI50 (functional) = 4.7 ug ml-1 Cytotoxicity against human NCI-H460 cells ChEMBL. 15730244
GI50 (functional) = 5.3 ug ml-1 Cytotoxicity against human sBxPC-3 cells ChEMBL. 15730244
GI50 (functional) = 5.6 ug ml-1 Cytotoxicity against human KM20L2 cells ChEMBL. 15730244
GI50 (functional) = 6.3 ug ml-1 Cytotoxicity against human SF-268 cells ChEMBL. 15730244

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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