Detailed information for compound 1249045

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 521.568 | Formula: C24H19N5O5S2
  • H donors: 3 H acceptors: 7 LogP: 3.05 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1c(NC(=O)CCC(=O)O)n(cc1c1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1nccs1
  • InChi: 1S/C24H19N5O5S2/c25-14-19-20(16-4-2-1-3-5-16)15-29(23(19)27-21(30)10-11-22(31)32)17-6-8-18(9-7-17)36(33,34)28-24-26-12-13-35-24/h1-9,12-13,15H,10-11H2,(H,26,28)(H,27,30)(H,31,32)
  • InChiKey: VWIDZQBZKJRNPO-UHFFFAOYSA-N  


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
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0509 0.298
Echinococcus granulosus hepatoma derived growth factor protein 0.0011 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0075 0.1887 0.1887
Brugia malayi MH2 domain containing protein 0.0017 0.0194 0.0279
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0025 0.0036
Trypanosoma brucei exonuclease, putative 0.0011 0.0021 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.101 0.5951
Trypanosoma brucei DNA repair protein RAD2, putative 0.0011 0.0021 0.0091
Giardia lamblia DNA damage repair protein 0.0013 0.0064 0.0217
Schistosoma mansoni smad1 5 8 and 0.0017 0.0194 0.0194
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0025 0.0036
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.1232 0.2631
Entamoeba histolytica hypothetical protein 0.002 0.0269 0.1397
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.066 0.1375
Brugia malayi MH2 domain containing protein 0.025 0.6957 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0658 0.0658
Schistosoma mansoni hepatoma derived growth factor 0.0011 0.0006 0.0006
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0025 0.0025
Echinococcus granulosus dna polymerase eta 0.0069 0.1693 0.1693
Entamoeba histolytica hypothetical protein 0.0075 0.1887 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0025 0.0036
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0461 0.2249
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Brugia malayi hypothetical protein 0.0053 0.1232 0.1771
Trypanosoma brucei unspecified product 0.0028 0.0509 0.298
Brugia malayi Hsp90 protein 0.003 0.057 0.0819
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0011 0.0021 0.0021
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0039 0.0821 0.0821
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1232 0.2607
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Echinococcus granulosus smad 0.0017 0.0194 0.0194
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0929 0.4642
Entamoeba histolytica exonuclease, putative 0.0011 0.0021 0.0082
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0658 0.0658
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0025 0.0025
Giardia lamblia NADPH oxidoreductase, putative 0.0078 0.1977 1
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Entamoeba histolytica 90 kDa heat shock protein, putative 0.003 0.057 0.2999
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0873 0.5138
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0025 0.0036
Schistosoma mansoni hypothetical protein 0.0011 0.0006 0.0006
Echinococcus multilocularis dna polymerase eta 0.0069 0.1693 0.1693
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0194 0.0279
Trypanosoma brucei heat shock protein 84, putative 0.003 0.057 0.3344
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0025 0.0337
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Brugia malayi XPG I-region family protein 0.0011 0.0021 0.0031
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0873 0.4609
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0055 0.1283 0.7568
Echinococcus multilocularis PWWP domain containing protein 2A 0.0011 0.0006 0.0006
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0873 0.0873
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0303 0.0606
Echinococcus granulosus PWWP domain containing protein 2A 0.0011 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0025 0.0036
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1232 0.7267
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0658 0.0658
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0873 0.0873
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0025 0.0025
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0873 0.5138
Plasmodium vivax heat shock protein 86, putative 0.0045 0.101 0.2129
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0031
Brugia malayi Steroid receptor seven-up type 2 0.0111 0.2918 0.4195
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0025 0.0337
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.066 0.066
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.101 0.5951
Echinococcus multilocularis exonuclease 1 0.0011 0.0021 0.0021
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0873 0.7899
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0929 0.4642
Entamoeba histolytica hypothetical protein 0.0075 0.1887 1
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0036 0.0755 0.0755
Schistosoma mansoni smad1 5 8 and 0.0017 0.0194 0.0194
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0021 0.0091
Brugia malayi Fli-1 protein 0.0217 0.5986 0.8605
Echinococcus granulosus peregrin 0.0011 0.0006 0.0006
Brugia malayi steroid hormone receptor 0.0011 0.0025 0.0036
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.273 0.3924
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0011 0.0021 0.0033
Loa Loa (eye worm) hypothetical protein 0.0071 0.1771 0.2546
Loa Loa (eye worm) RecQ helicase 0.0024 0.0386 0.0555
Schistosoma mansoni ets-related 0.0217 0.5986 0.5986
Giardia lamblia Flap structure-specific endonuclease 0.0055 0.1283 0.6448
Echinococcus multilocularis dna polymerase kappa 0.004 0.0873 0.0873
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0025 0.0025
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0658 0.0658
Loa Loa (eye worm) hypothetical protein 0.0069 0.1693 0.2433
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0025 0.0025
Treponema pallidum heat shock protein 90 0.0042 0.0929 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0025 0.0036
Loa Loa (eye worm) heat shock protein 75 0.003 0.057 0.0819
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0164 0.0307
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1232 0.2607
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0025 0.0036
Schistosoma mansoni SET domain protein 0.0036 0.0755 0.0755
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.1887 0.1887
Brugia malayi Endoplasmin precursor 0.0045 0.101 0.1452
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0509 0.298
Trypanosoma cruzi DNA damage repair protein, putative 0.0013 0.0064 0.0342
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0064 0.0342
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.066 0.066
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1771 0.2546
Leishmania major DNA polymerase kappa, putative 0.0013 0.0064 0.0342
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0386 0.0555
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0.1977 1
Echinococcus granulosus dna polymerase kappa 0.004 0.0873 0.0873
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0013 0.0064 0.0124
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0055 0.1283 0.7568
Echinococcus multilocularis hepatoma derived growth factor protein 0.0011 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0025 0.0036
Trypanosoma cruzi DNA polymerase eta, putative 0.0069 0.1693 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Schistosoma mansoni coup transcription factor 0.0011 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0011 0.0006 0.0006
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family member 0.0011 0.0021 0.0021
Toxoplasma gondii heat shock protein 75, putative 0.003 0.057 0.1211
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Giardia lamblia NADPH oxidoreductase, putative 0.0078 0.1977 1
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0011 0.0021 0.0021
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.101 0.5951
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0025 0.0025
Plasmodium vivax heat shock protein 90, putative 0.003 0.057 0.1182
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0.1977 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0025 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0025 0.0036
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0873 0.4353
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0025 0.0036
Schistosoma mansoni hypothetical protein 0.0024 0.0387 0.0387
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.066 0.066
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Schistosoma mansoni hypothetical protein 0.0033 0.0658 0.0658
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0194 0.0194
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.273 0.3924
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0031
Leishmania major hypothetical protein, conserved 0.0011 0.0021 0.0091
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0821 0.4086
Schistosoma mansoni heat shock protein 0.003 0.057 0.057
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Schistosoma mansoni hypothetical protein 0.0355 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0658 0.0947
Loa Loa (eye worm) Smad1 0.0017 0.0194 0.0279
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.003 0.057 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.101 0.5338
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.101 0.5951
Brugia malayi PWWP domain containing protein 0.0011 0.0006 0.0009
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Trypanosoma brucei unspecified product 0.004 0.0873 0.5138
Giardia lamblia Heat shock protein HSP 90-alpha 0.0045 0.101 0.5053
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0248 0.1436
Trypanosoma brucei chrX additional, unordered contigs 0.0013 0.0064 0.0342
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.066 0.066
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0658 0.0947
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.273 0.3924
Leishmania major DNA polymerase kappa, putative 0.004 0.0873 0.5138
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0011 0.0021 0.0033
Echinococcus granulosus exonuclease 1 0.0011 0.0021 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0025 0.0036
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0025 0.0025
Echinococcus granulosus flap endonuclease GEN 1 0.0011 0.0021 0.0021
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0011 0.0021 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Plasmodium vivax endoplasmin, putative 0.0045 0.101 0.2129
Echinococcus granulosus heat shock protein 0.0045 0.101 0.101
Trypanosoma brucei unspecified product 0.0028 0.0509 0.298
Schistosoma mansoni hepatoma derived growth factor 0.0011 0.0006 0.0006
Echinococcus multilocularis endoplasmin 0.0042 0.0929 0.0929
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.0884 0.1884
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0025 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0025 0.0036
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0025 0.0025
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0194 0.0194
Echinococcus multilocularis heat shock protein 0.0045 0.101 0.101
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1232 0.7267
Trichomonas vaginalis heat shock protein, putative 0.0045 0.101 0.5053
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0821 0.4829
Brugia malayi Ets-domain containing protein 0.0071 0.177 0.2545
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0873 0.9346
Toxoplasma gondii heat shock protein 90, putative 0.0045 0.101 0.2154
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.066 0.3877
Loa Loa (eye worm) transcription factor SMAD2 0.025 0.6957 1
Plasmodium falciparum flap endonuclease 1 0.0055 0.1283 0.2716
Echinococcus multilocularis peregrin 0.0011 0.0006 0.0006
Schistosoma mansoni smad 0.0017 0.0194 0.0194
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Schistosoma mansoni Smad4 0.0017 0.0194 0.0194
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0111 0.2918 0.2918
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0009
Plasmodium falciparum heat shock protein 90, putative 0.0171 0.4665 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Entamoeba histolytica Flap nuclease, putative 0.0055 0.1283 0.6788
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0884 0.5204
Echinococcus multilocularis PWWP domain containing protein 2A 0.0011 0.0006 0.0006
Brugia malayi hypothetical protein 0.0011 0.0006 0.0009
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0025 0.0025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.066 0.066
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Giardia lamblia Grp94/Hsp90 0.0042 0.0929 0.4642
Schistosoma mansoni hypothetical protein 0.0355 1 1
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Giardia lamblia DINP protein human, muc B family 0.004 0.0873 0.4353
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0194 0.0194
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Loa Loa (eye worm) XPG I-region family protein 0.0011 0.0021 0.0031
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0873 0.5138
Loa Loa (eye worm) hypothetical protein 0.0061 0.147 0.2113
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0011 0.0021 0.0033
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Trypanosoma cruzi DNA repair protein RAD2, putative 0.0011 0.0021 0.0091
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0025 0.0036
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0025 0.0025
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0873 0.4353
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.002 0.0269 0.1265
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0873 0.7899
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0873 0.1255
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0873 0.5138
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0013 0.0064 0.0124
Trichomonas vaginalis flap endonuclease-1, putative 0.0055 0.1283 0.6448
Plasmodium vivax flap endonuclease 1, putative 0.0055 0.1283 0.2716
Echinococcus granulosus bloom syndrome protein 0.0024 0.0386 0.0386
Schistosoma mansoni DNA polymerase eta 0.0069 0.1693 0.1693
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Echinococcus granulosus heat shock protein 90 0.0045 0.101 0.101
Trypanosoma brucei hypothetical protein, conserved 0.0013 0.0064 0.0342
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0055 0.1283 0.274
Echinococcus granulosus Smad4 0.0017 0.0194 0.0194
Entamoeba histolytica DNA-repair protein, putative 0.0011 0.0021 0.0082
Schistosoma mansoni hypothetical protein 0.0033 0.0658 0.0658
Schistosoma mansoni hypothetical protein 0.0033 0.0658 0.0658
Schistosoma mansoni heat shock protein 0.0045 0.101 0.101
Giardia lamblia NADPH oxidoreductase, putative 0.0078 0.1977 1
Echinococcus multilocularis heat shock protein 90 0.0045 0.101 0.101
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0025 0.0025
Entamoeba histolytica exonuclease, putative 0.0011 0.0021 0.0082
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0873 0.1255
Entamoeba histolytica modulator of drug activity B homolog, putative 0.002 0.0269 0.1397
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0194 0.0194
Echinococcus granulosus heat shock protein 90 0.0039 0.0821 0.0821
Brugia malayi MH1 domain containing protein 0.0017 0.0194 0.0279
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0929 0.5
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0929 0.5474
Loa Loa (eye worm) fli-1 protein 0.0217 0.5986 0.8605
Trypanosoma brucei hypothetical protein, conserved 0.0013 0.0064 0.0342
Schistosoma mansoni flap endonuclease-1 0.0049 0.1131 0.1131
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.1887 0.1887
Plasmodium vivax heat shock protein, putative 0.0171 0.4665 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0386 0.1864
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0386 0.1864
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0011 0.0021 0.0021
Brugia malayi nuclear hormone receptor 0.0011 0.0025 0.0036
Echinococcus multilocularis GPCR, family 2 0.0033 0.0658 0.0658
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.066 0.1404
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0012 0.0041 0.0041
Plasmodium falciparum DNA repair protein REV1, putative 0.0013 0.0064 0.0091
Trichomonas vaginalis heat shock protein, putative 0.0033 0.0651 0.3216
Entamoeba histolytica hypothetical protein 0.0075 0.1887 1
Leishmania major DNA polymerase eta, putative 0.0069 0.1693 1
Loa Loa (eye worm) flap endonuclease-1 0.0055 0.1283 0.1844
Loa Loa (eye worm) heat shock protein 90 0.0045 0.101 0.1452
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0025 0.0025
Schistosoma mansoni gabp alpha 0.0071 0.177 0.177
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.177 0.177
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0025 0.0036
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0025 0.0025
Echinococcus multilocularis flap endonuclease 1 0.0055 0.1283 0.1283
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Schistosoma mansoni phd finger protein 0.0011 0.0006 0.0006
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0064 0.0342
Leishmania major hypothetical protein, conserved 0.0053 0.1232 0.7267
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Schistosoma mansoni hypothetical protein 0.0011 0.0006 0.0006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0025 0.0025
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.057 0.057
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Schistosoma mansoni endoplasmin 0.0045 0.101 0.101
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.066 0.066
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0194 0.0194
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Brugia malayi nuclear receptor NHR-88 0.0011 0.0025 0.0036
Plasmodium falciparum heat shock protein 90 0.0045 0.101 0.2129
Echinococcus granulosus GPCR family 2 0.0033 0.0658 0.0658
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.101 0.5951
Echinococcus granulosus flap endonuclease 1 0.0055 0.1283 0.1283
Loa Loa (eye worm) hypothetical protein 0.0013 0.0064 0.0092
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Loa Loa (eye worm) hypothetical protein 0.0106 0.2765 0.3974
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0012 0.0041 0.0041
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0658 0.0947
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.0821 0.4086
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.101 0.5338
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0873 0.0873
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0025 0.0036
Trypanosoma brucei DNA polymerase eta, putative 0.0069 0.1693 1
Brugia malayi hypothetical protein 0.0075 0.1887 0.2712
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0025 0.0337
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0025 0.0036
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.1232 0.7267
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0036 0.0755 0.0755
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.066 0.1375
Echinococcus multilocularis geminin 0.0355 1 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.177 0.2545
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0025 0.0025
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0025 0.0025
Onchocerca volvulus 0.0011 0.0025 0.0337
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0025 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0025 0.0036
Schistosoma mansoni SET domain protein 0.0012 0.0041 0.0041
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0025 0.0025
Brugia malayi Smad1 0.0017 0.0194 0.0279
Brugia malayi Flap endonuclease-1 0.0055 0.1283 0.1844
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0025 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0025 0.0025
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Loa Loa (eye worm) hypothetical protein 0.0119 0.3155 0.4535
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0821 0.4829
Schistosoma mansoni heat shock protein 0.0045 0.101 0.101
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0025 0.0036
Loa Loa (eye worm) hypothetical protein 0.0104 0.273 0.3924
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.066 0.3877
Brugia malayi ecdysteroid receptor 0.0011 0.0025 0.0036
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0194 0.0279
Brugia malayi Isocitrate dehydrogenase 0.0033 0.066 0.0949
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0025 0.0025
Trypanosoma cruzi heat shock protein, putative 0.003 0.057 0.3344
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0387 0.0387
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0042 0.0929 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0021 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.066 0.3877
Schistosoma mansoni DNA polymerase IV / kappa 0.0013 0.0064 0.0064
Trypanosoma cruzi DNA repair protein RAD2, putative 0.0011 0.0021 0.0091
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0066 0.023
Brugia malayi ImpB/MucB/SamB family protein 0.0069 0.1693 0.2433
Brugia malayi hypothetical protein 0.0034 0.0689 0.099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0025 0.0036
Trypanosoma cruzi Heat shock protein 83, putative 0.0045 0.101 0.5951
Echinococcus granulosus PWWP domain containing protein 2A 0.0011 0.0006 0.0006
Plasmodium falciparum endoplasmin, putative 0.0033 0.0651 0.1355
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0025 0.0025
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Brugia malayi heat shock protein 90 0.0045 0.101 0.1452
Trypanosoma brucei Heat shock protein 83, putative 0.0045 0.101 0.5951
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0873 0.5138
Echinococcus multilocularis flap endonuclease GEN 1 0.0011 0.0021 0.0021
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.066 0.066
Trypanosoma brucei DNA damage repair protein, putative 0.0013 0.0064 0.0342
Echinococcus multilocularis smad 0.0017 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Brugia malayi polk-prov protein 0.0013 0.0064 0.0092
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0158 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0658 0.0947
Loa Loa (eye worm) endoplasmin 0.0045 0.101 0.1452
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.1232 0.2607
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0242 0.0242
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0055 0.1283 0.7568
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0066 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Plasmodium vivax DNA repair protein REV1, putative 0.0013 0.0064 0.0091
Trypanosoma brucei DNA damage repair protein, putative 0.0013 0.0064 0.0342
Schistosoma mansoni hypothetical protein 0.0033 0.0658 0.0658
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.002 0.0269 0.1397
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Schistosoma mansoni endoplasmin 0.0045 0.101 0.101
Loa Loa (eye worm) PWWP domain-containing protein 0.0011 0.0006 0.0009
Schistosoma mansoni smad1 5 8 and 0.0017 0.0194 0.0194
Schistosoma mansoni exonuclease 0.0011 0.0021 0.0021
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.101 0.5951
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.066 0.1404
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.1887 0.1887
Brugia malayi hypothetical protein 0.0011 0.0006 0.0009
Brugia malayi MH2 domain containing protein 0.0017 0.0194 0.0279
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0387 0.0387
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0.1977 1
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0873 0.9346
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.0929 1
Brugia malayi MH1 domain containing protein 0.0017 0.0194 0.0279
Trichomonas vaginalis endoplasmin, putative 0.0033 0.0651 0.3216
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0873 0.5138
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0066 0.0321
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0873 0.0873
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0509 0.298
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0386 0.0386
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0873 0.5138
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0025 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0064 0.0342
Leishmania major heat shock protein, putative 0.003 0.057 0.3344
Brugia malayi Ets-domain containing protein 0.0071 0.177 0.2545
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.066 0.3877
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0053 0.1232 0.1771
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0025 0.0025
Trypanosoma cruzi DNA damage repair protein, putative 0.0013 0.0064 0.0342
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0269 0.1265
Echinococcus granulosus endoplasmin 0.0042 0.0929 0.0929
Leishmania major DNA damage repair protein, putative 0.0013 0.0064 0.0342
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0066 0.0358
Echinococcus multilocularis Smad4 0.0017 0.0194 0.0194
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.066 0.0949
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0025 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0873 0.5138
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.1408 0.7091
Brugia malayi isocitrate dehydrogenase 0.0033 0.066 0.0949
Trichomonas vaginalis FMN-dependent NADH-azoreductase, putative 0.002 0.0269 0.1265
Mycobacterium ulcerans heat shock protein 90 0.0042 0.0929 1
Schistosoma mansoni hypothetical protein 0.0071 0.1771 0.1771
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0064 0.0342
Toxoplasma gondii heat shock protein HSP90 0.0045 0.101 0.2154
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.002 0.0269 0.1265
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0111 0.2918 0.2918
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1977 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0036
Trypanosoma brucei heat shock protein, putative 0.0045 0.101 0.5951
Leishmania major heat shock protein 83-1 0.0045 0.101 0.5951
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0025 0.0025
Plasmodium falciparum heat shock protein 90, putative 0.0026 0.0461 0.0947
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.177 0.177
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.066 0.3877
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0025 0.0025
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0025 0.0036
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0066 0.0358
Trichomonas vaginalis modulator of drug activity B, putative 0.002 0.0269 0.1265
Echinococcus multilocularis heat shock protein 90 0.0039 0.0821 0.0821
Entamoeba histolytica hypothetical protein 0.0075 0.1887 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0171 0.4665 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0873 0.5138
Leishmania major DNA polymerase eta, putative 0.0041 0.0884 0.5204
Loa Loa (eye worm) nuclear hormone receptor 0.0105 0.2746 0.3948
Loa Loa (eye worm) MH2 domain-containing protein 0.025 0.6957 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 25.03 % Anticancer activity against human HepG2 cells assessed as viable cells after 48 hrs at 5 uM by SRB assay relative to control ChEMBL. 20850308
Activity (functional) = 35.95 % Anticancer activity against human HepG2 cells assessed as viable cells after 48 hrs at 25 uM by SRB assay relative to control ChEMBL. 20850308
Activity (functional) = 39.6 % Anticancer activity against human HepG2 cells assessed as viable cells after 48 hrs at 12.5 uM by SRB assay relative to control ChEMBL. 20850308
Activity (functional) = 49.58 % Anticancer activity against human HepG2 cells assessed as viable cells after 48 hrs at 40 uM by SRB assay relative to control ChEMBL. 20850308
Activity (functional) = 60.6 % Anticancer activity against 4 Gy gamma-irradiated human HepG2 cells assessed as viable cells after 48 hrs at 5 uM by SRB assay (Rvb = 21.2%) ChEMBL. 20850308
Activity (functional) = 71.8 % Anticancer activity against 4 Gy gamma-irradiated human HepG2 cells assessed as viable cells after 48 hrs at 25 uM by SRB assay (Rvb = 21.2%) ChEMBL. 20850308
Activity (functional) = 71.8 % Anticancer activity against 4 Gy gamma-irradiated human HepG2 cells assessed as viable cells after 48 hrs at 40 uM by SRB assay (Rvb = 21.2%) ChEMBL. 20850308
Activity (functional) = 72.6 % Anticancer activity against 4 Gy gamma-irradiated human HepG2 cells assessed as viable cells after 48 hrs at 12.5 uM by SRB assay (Rvb = 21.2%) ChEMBL. 20850308
IC50 (functional) = 3.75 uM Cytotoxicity against human HepG2 cells assessed as inhibition of cell proliferation after 24 hrs by SRB assay ChEMBL. 20850308
IC50 (functional) = 9.12 uM Cytotoxicity against human MCF7 cells assessed as inhibition of cell proliferation after 24 hrs by SRB assay ChEMBL. 20850308

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20850308

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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