Detailed information for compound 44853

Basic information

Technical information
  • TDR Targets ID: 44853
  • Name: N-[2-[4-[[amino(thiophen-2-yl)methylidene]ami no]phenyl]ethyl]-2-(dithiolan-3-yl)acetamide
  • MW: 391.574 | Formula: C18H21N3OS3
  • H donors: 2 H acceptors: 1 LogP: 3.25 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1SSCC1)NCCc1ccc(cc1)NC(=N)c1cccs1
  • InChi: 1S/C18H21N3OS3/c19-18(16-2-1-10-23-16)21-14-5-3-13(4-6-14)7-9-20-17(22)12-15-8-11-24-25-15/h1-6,10,15H,7-9,11-12H2,(H2,19,21)(H,20,22)
  • InChiKey: OOMUWWRVWHQKMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[4-[[amino(2-thienyl)methylene]amino]phenyl]ethyl]-2-(dithiolan-3-yl)acetamide
  • N-[2-[4-[[amino(2-thienyl)methylene]amino]phenyl]ethyl]-2-(3-dithiolanyl)acetamide
  • N-[2-[4-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-(1,2-dithiolan-3-yl)ethanamide
  • N-[2-[4-[(amino-thiophen-2-ylmethylidene)amino]phenyl]ethyl]-2-(dithiolan-3-yl)acetamide
  • N-[2-[4-[[amino-(2-thienyl)methylene]amino]phenyl]ethyl]-2-(dithiolan-3-yl)acetamide
  • N-[2-[4-[[amino-(2-thienyl)methylene]amino]phenyl]ethyl]-2-(3-dithiolanyl)acetamide
  • N-[2-[4-[(amino-thiophen-2-yl-methylidene)amino]phenyl]ethyl]-2-(1,2-dithiolan-3-yl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL References

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 cruzi DNA polymerase beta thumb, putative 0.0047 0.0055 0.0198
Schistosoma mansoni hypothetical protein 0.0186 0.0242 0.4064
Brugia malayi Importin beta-1 subunit 0.0032 0.0035 0.0048
Schistosoma mansoni hypothetical protein 0.0013 0.0009 0.0153
Brugia malayi polybromodomain protein 0.0007 0.0001 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0007 0.0009
Brugia malayi flavodoxin family protein 0.001 0.0006 0.0008
Schistosoma mansoni helicase 0.0006 0.0001 0.001
Leishmania major DNA damage repair protein, putative 0.0007 0.0001 0.0003
Echinococcus multilocularis cpg binding protein 0.007 0.0086 0.1447
Trypanosoma brucei unspecified product 0.0021 0.002 0.0075
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0007 0.0115
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0015 0.0056
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.002 0.0072
Echinococcus granulosus snurportin 1 0.0337 0.0447 0.7492
Brugia malayi BRM protein 0.0074 0.0091 0.0126
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0007 0.0115
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0028 0.0104
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.002 0.0244
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.002 0.0072
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.002 0.007
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.001 0.0006 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0012 0.0043
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0007 0.0115
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0004 0.0066
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0005 0.0085
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0035 0.0579
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.002 0.0331
Echinococcus multilocularis helicase 0.0006 0.0001 0.001
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0027 0.0028 0.0473
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.002 0.039
Loa Loa (eye worm) Smad1 0.0009 0.0004 0.0089
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0018
Brugia malayi ecdysteroid receptor 0.0011 0.0007 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Mycobacterium ulcerans glutaminase 0.03 0.0396 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0027 0.0028 0.0104
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.001 0.0006 0.0021
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.002 0.0075
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0007 0.0115
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0015 0.0053
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0002 0.0042
Loa Loa (eye worm) flavodoxin family protein 0.001 0.0006 0.013
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0002 0.0039
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0007 0.0006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0015 0.0256
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0005
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0007 0.0115
Schistosoma mansoni hypothetical protein 0.0186 0.0242 0.4064
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0045 0.0756
Plasmodium vivax helicase, putative 0.0006 0.0001 0.0002
Schistosoma mansoni NADPH flavin oxidoreductase 0.0014 0.001 0.0171
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0001 0.0003
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.003 0.0112
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0007 0.0115
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.002 0.0075
Loa Loa (eye worm) helicase DNA-binding protein 0.0013 0.0009 0.0204
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.001 0.0006 0.0018
Echinococcus multilocularis muscleblind protein 0.0164 0.0213 0.3566
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.002 0.0479
Schistosoma mansoni ap endonuclease 0.0021 0.002 0.0331
Echinococcus granulosus polybromo 1 0.0007 0.0001 0.0019
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.002 0.0072
Brugia malayi CXXC zinc finger family protein 0.0068 0.0084 0.0115
Leishmania major DNA polymerase eta, putative 0.0021 0.002 0.0075
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0168 0.3768
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0035 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0007 0.0009
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0007 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0007 0.0009
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0027 0.0028 0.0694
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0022 0.0021 0.0078
Entamoeba histolytica hypothetical protein 0.0039 0.0045 0.0892
Toxoplasma gondii RNA-directed DNA polymerase 0.2027 0.2726 1
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0007 0.0115
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0002 0.0039
Trichomonas vaginalis helicase, putative 0.0007 0.0002 0.0039
Schistosoma mansoni flap endonuclease-1 0.0026 0.0027 0.0448
Schistosoma mansoni diflavin oxidoreductase 0.0013 0.001 0.0167
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.2027 0.2726 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0007 0.0009
Echinococcus granulosus helicase 0.0006 0.0001 0.001
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.003 0.0768
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0004 0.0066
Leishmania major mitochondrial DNA polymerase beta 0.0331 0.0438 0.1608
Plasmodium falciparum DEAD/DEAH box helicase, putative 0.0011 0.0007 0.0027
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.002 0.007
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0027 0.0028 0.0473
Echinococcus granulosus muscleblind protein 0.0164 0.0213 0.3566
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0168 0.3768
Schistosoma mansoni importin beta-1 0.0032 0.0035 0.0579
Schistosoma mansoni glutaminase 0.03 0.0396 0.6638
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0027 0.0028 0.0104
Schistosoma mansoni ap endonuclease 0.0021 0.002 0.0331
Loa Loa (eye worm) histone methyltransferase 0.001 0.0005 0.0113
Schistosoma mansoni helicase 0.0006 0.0001 0.001
Schistosoma mansoni hypothetical protein 0.0337 0.0447 0.7492
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.002 0.0498
Plasmodium falciparum Snf2-related CBP activator, putative 0.0006 0.0001 0.0002
Trichomonas vaginalis glutaminase, putative 0.03 0.0396 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.002 0.0517
Giardia lamblia Hypothetical protein 0.0024 0.0024 0.0086
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0015 0.0056
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0022 0.0021 0.0418
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0005
Entamoeba histolytica hypothetical protein 0.0026 0.0026 0.0524
Echinococcus multilocularis Smad4 0.0009 0.0004 0.0066
Echinococcus granulosus smad 0.0009 0.0004 0.0066
Leishmania major DNA polymerase eta, putative 0.0007 0.0001 0.0003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0057 0.0068 0.0248
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.002 0.007
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0011 0.0007 0.0027
Entamoeba histolytica type A flavoprotein, putative 0.001 0.0006 0.0115
Entamoeba histolytica hypothetical protein 0.0039 0.0045 0.0892
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0001 0.0003
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.001 0.0006 0.0018
Schistosoma mansoni cytochrome P450 reductase 0.0027 0.0028 0.0473
Brugia malayi RNA, U transporter 1 0.009 0.0113 0.0156
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0157 0.0203 0.0745
Loa Loa (eye worm) glutaminase 2 0.03 0.0396 0.886
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0015 0.0256
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0028 0.0101
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Brugia malayi SET domain containing protein 0.0007 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0448 0.0596 1
Entamoeba histolytica type A flavoprotein, putative 0.001 0.0006 0.0115
Loa Loa (eye worm) BRM protein 0.0038 0.0043 0.0968
Leishmania major DNA polymerase kappa, putative 0.0007 0.0001 0.0003
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.002 0.0072
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0022 0.0021 0.0078
Entamoeba histolytica type A flavoprotein, putative 0.001 0.0006 0.0115
Trichomonas vaginalis lymphoid specific helicase, putative 0.0013 0.001 0.0253
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0004 0.0066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0007 0.0154
Plasmodium vivax hypothetical protein, conserved 0.001 0.0006 0.0021
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0007 0.0115
Loa Loa (eye worm) glutaminase 0.03 0.0396 0.886
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Brugia malayi steroid hormone receptor 0.0011 0.0007 0.0009
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.002 0.0498
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0004 0.0089
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0001 0.0003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0015 0.0256
Trypanosoma cruzi p450 reductase, putative 0.0027 0.0028 0.0101
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0045 0.0756
Brugia malayi flavodoxin family protein 0.0027 0.0028 0.0039
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0007 0.0115
Giardia lamblia DNA repair protein RAD52 0.0381 0.0506 0.1853
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0026 0.0669
Echinococcus granulosus dna polymerase kappa 0.0021 0.002 0.0343
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0028 0.0104
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0007 0.0115
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0007 0.0006
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.002 0.0028
Echinococcus granulosus DNA methyltransferase 2, putative 0.0022 0.0021 0.0354
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.002 0.0517
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.002 0.0458
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0009 0.0013
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0001 0.0003
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.002 0.0442
Schistosoma mansoni polybromo-1 0.0007 0.0001 0.0019
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0004 0.0066
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0007 0.0009
Echinococcus multilocularis Chromo domain 0.0013 0.0009 0.0153
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.002 0.0072
Toxoplasma gondii flavodoxin domain-containing protein 0.0013 0.001 0.0036
Trichomonas vaginalis NADPH cytochrome P450, putative 0.001 0.0006 0.0147
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0012 0.0043
Echinococcus multilocularis Helicase SANT associated, DNA binding 0.0006 0.0001 0.001
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.002 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0157 0.0203 0.0743
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0026 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0007 0.0009
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0007 0.0115
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0066
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.003 0.0112
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0001 0.0003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0055 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Entamoeba histolytica Flap nuclease, putative 0.0029 0.003 0.0602
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.002 0.0343
Leishmania major DNA polymerase kappa, putative 0.0021 0.002 0.0075
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0108 0.0138 0.2731
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0007 0.0115
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Trypanosoma brucei unspecified product 0.0015 0.0012 0.0043
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0007 0.0009
Brugia malayi nuclear receptor NHR-88 0.0011 0.0007 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Trichomonas vaginalis NADPH cytochrome P450, putative 0.001 0.0006 0.0147
Trypanosoma brucei telomerase reverse transcriptase 0.2027 0.2726 1
Echinococcus granulosus flap endonuclease 1 0.0029 0.003 0.051
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0007 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0007 0.0009
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0025
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0001 0.0003
Leishmania major modification methylase-like protein 0.0022 0.0021 0.0078
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0001 0.0003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0174 0.0227 1
Schistosoma mansoni hypothetical protein 0.0015 0.0012 0.0193
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0007 0.0115
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0005
Echinococcus multilocularis flap endonuclease 1 0.0029 0.003 0.051
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0001 0.0003
Toxoplasma gondii hypothetical protein 0.0053 0.0064 0.0235
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0381 0.0506 1
Mycobacterium ulcerans hypothetical protein 0.0174 0.0227 0.5726
Schistosoma mansoni helicase 0.0074 0.0091 0.1529
Loa Loa (eye worm) hypothetical protein 0.0027 0.0028 0.0631
Loa Loa (eye worm) FAD binding domain-containing protein 0.0027 0.0028 0.0631
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0027 0.0028 0.0473
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0157 0.0203 0.0745
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0005 0.0085
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.002 1
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0013 0.001 0.0037
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0002 0.0042
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Echinococcus granulosus methionine synthase reductase 0.0017 0.0014 0.024
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.002 0.0027
Loa Loa (eye worm) hypothetical protein 0.0021 0.002 0.0458
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Plasmodium vivax DEAD/DEAH helicase, putative 0.0011 0.0007 0.0027
Echinococcus granulosus importin subunit beta 1 0.0032 0.0035 0.0579
Trichomonas vaginalis NADPH cytochrome P450, putative 0.001 0.0006 0.0147
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0035 0.0127
Brugia malayi MH2 domain containing protein 0.0131 0.0168 0.0232
Loa Loa (eye worm) BRM protein 0.0047 0.0055 0.1238
Brugia malayi Flap endonuclease-1 0.0029 0.003 0.0042
Echinococcus multilocularis disco interacting protein 2 0.0042 0.0049 0.0819
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.002 0.0072
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0082 0.1374
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.002 0.0405
Plasmodium vivax importin-beta 2, putative 0.0032 0.0035 0.0127
Loa Loa (eye worm) hypothetical protein 0.0164 0.0213 0.476
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.002 0.0498
Echinococcus granulosus global transcription activator snf2l2 0.0074 0.0091 0.1529
Loa Loa (eye worm) hypothetical protein 0.0164 0.0213 0.476
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0007 0.0154
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0055 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0012 0.0043
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0005 0.0007
Echinococcus multilocularis geminin 0.0186 0.0242 0.4064
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0007 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0007 0.0154
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Entamoeba histolytica type A flavoprotein, putative 0.001 0.0006 0.0115
Echinococcus granulosus BRK domain containing protein 0.0013 0.0009 0.0153
Leishmania major hypothetical protein, conserved 0.001 0.0006 0.0021
Schistosoma mansoni DNA polymerase eta 0.0021 0.002 0.0343
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0002 0.0042
Leishmania major p450 reductase, putative 0.0027 0.0028 0.0104
Trichomonas vaginalis sulfite reductase, putative 0.0027 0.0028 0.0713
Echinococcus granulosus disco interacting protein 2 0.0042 0.0049 0.0819
Chlamydia trachomatis sulfite reductase 0.0017 0.0014 0.5
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.003 0.0112
Entamoeba histolytica type A flavoprotein, putative 0.001 0.0006 0.0115
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0015 0.0342
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0017 0.0014 0.024
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0004 0.0089
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0001 0.0003
Schistosoma mansoni cpg binding protein 0.007 0.0086 0.1447
Entamoeba histolytica hypothetical protein 0.0039 0.0045 0.0892
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0007 0.0115
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.002 0.5
Brugia malayi nuclear hormone receptor 0.0011 0.0007 0.0009
Brugia malayi glutaminase DH11.1 0.03 0.0396 0.0545
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0027 0.0028 0.0104
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0331 0.0438 0.1608
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.002 0.0072
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0024 0.0024 0.0608
Giardia lamblia Nitric oxide synthase, inducible 0.0024 0.0024 0.0086
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0013 0.0009 0.0153
Leishmania major importin beta-1 subunit, putative 0.0026 0.0026 0.0097
Loa Loa (eye worm) SNF2 family domain-containing protein 0.0006 0.0001 0.0013
Schistosoma mansoni coup transcription factor 0.0011 0.0007 0.0115
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0004 0.0066
Echinococcus granulosus dna polymerase eta 0.0021 0.002 0.0343
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0022 0.0021 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0007 0.0154
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0015 0.0256
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0002 0.0042
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0007 0.0115
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0001 0.0003
Plasmodium falciparum nitric oxide synthase, putative 0.0027 0.0028 0.0104
Leishmania major cytochrome P450 reductase, putative 0.0024 0.0024 0.0088
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.002 0.0343
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0001 0.0003
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0015 0.0021
Brugia malayi Smad1 0.0009 0.0004 0.0005
Giardia lamblia Telomerase catalytic subunit 0.2027 0.2726 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0007 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0007 0.0154
Schistosoma mansoni hypothetical protein 0.0039 0.0045 0.0756
Brugia malayi Telomerase reverse transcriptase 0.5394 0.7266 1
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0042 0.0049 0.0819
Toxoplasma gondii exonuclease III APE 0.0021 0.002 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Echinococcus granulosus Chromo domain 0.0013 0.0009 0.0153
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0021
Plasmodium falciparum telomerase reverse transcriptase 0.2027 0.2726 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0007 0.0154
Brugia malayi Muscleblind-like protein 0.0164 0.0213 0.0293
Echinococcus multilocularis muscleblind protein 1 0.0164 0.0213 0.3566
Plasmodium falciparum flap endonuclease 1 0.0029 0.003 0.0112
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.002 0.0028
Schistosoma mansoni cpg binding protein 0.0068 0.0084 0.1407
Echinococcus multilocularis dna polymerase kappa 0.0021 0.002 0.0343
Plasmodium falciparum importin beta, putative 0.0032 0.0035 0.0127
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0015 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0007 0.0009
Entamoeba histolytica hypothetical protein 0.0108 0.0138 0.2731
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0001 0.0013
Entamoeba histolytica hypothetical protein 0.0039 0.0045 0.0892
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0022 0.0021 0.0078
Trypanosoma brucei unspecified product 0.0015 0.0012 0.0043
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Brugia malayi FAD binding domain containing protein 0.0027 0.0028 0.0039
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.002 0.0343
Schistosoma mansoni smad 0.0009 0.0004 0.0066
Loa Loa (eye worm) CXXC zinc finger family protein 0.0068 0.0084 0.1878
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0027 0.0028 0.0473
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0337 0.0447 1
Toxoplasma gondii DNA methyltransferase 2, putative 0.0022 0.0021 0.0078
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0015 0.0056
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0007 0.0154
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.002 0.0075
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0066
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0007 0.0009
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.003 0.0109
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0055 0.0198
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0015 0.0256
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0015 0.0256
Loa Loa (eye worm) hypothetical protein 0.0042 0.0049 0.1094
Echinococcus multilocularis polybromo 1 0.0007 0.0001 0.0019
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.002 0.0331
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.001 0.0006 0.0018
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0027 0.0028 0.0104
Onchocerca volvulus 0.0011 0.0007 0.0006
Schistosoma mansoni hypothetical protein 0.0006 0.0001 0.001
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.003 0.0109
Echinococcus granulosus Smad4 0.0009 0.0004 0.0066
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0093 0.0117 0.0429
Toxoplasma gondii flavodoxin domain-containing protein 0.0013 0.001 0.0036
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.002 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0007 0.0154
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0331 0.0438 0.1606
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.002 0.0244
Brugia malayi hypothetical protein 0.0039 0.0045 0.0062
Echinococcus granulosus dnaJ subfamily B 0.0448 0.0596 1
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0035 0.0127
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Loa Loa (eye worm) hypothetical protein 0.0032 0.0035 0.0773
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0007 0.0009
Brugia malayi polk-prov protein 0.0007 0.0001 0.0001
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0007 0.0115
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.002 0.021
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0001 0.0003
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0022 0.0021 0.0354
Echinococcus granulosus geminin 0.0186 0.0242 0.4064
Schistosoma mansoni Smad4 0.0009 0.0004 0.0066
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.003 0.0112
Onchocerca volvulus 0.0042 0.0049 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0006 0.0001 0.0002
Echinococcus granulosus Helicase SANT associated DNA binding 0.0006 0.0001 0.001
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0007 0.0009
Trichomonas vaginalis NADPH cytochrome P450, putative 0.001 0.0006 0.0147
Leishmania major telomerase reverse transcriptase, putative 0.2027 0.2726 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0007 0.0115
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0007 0.0115
Echinococcus multilocularis global transcription activator snf2l2 0.0074 0.0091 0.1529
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0015 0.0056
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.002 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Echinococcus multilocularis snurportin 1 0.0337 0.0447 0.7492
Echinococcus multilocularis dna polymerase eta 0.0021 0.002 0.0343
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0075 0.0275
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0007 0.0115
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0026 0.0669
Echinococcus multilocularis BRK domain 0.0013 0.0009 0.0153
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0015 0.0256
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.001 0.0006 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0005
Brugia malayi SNF2 family N-terminal domain containing protein 0.0006 0.0001 0.0001
Toxoplasma gondii hypothetical protein 0.0093 0.0117 0.0429
Brugia malayi FAD binding domain containing protein 0.0017 0.0014 0.002
Brugia malayi Disco-interacting protein 2 homolog 0.0042 0.0049 0.0067
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0045 0.0756
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0002 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0007 0.0009
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0007 0.0115
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0007 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.002 0.0075
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0026 0.0669
Plasmodium vivax telomerase reverse transcriptase, putative 0.2027 0.2726 1
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.003 0.0681
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0066
Loa Loa (eye worm) FAD binding domain-containing protein 0.0017 0.0014 0.0321
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.002 0.0343
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0007 0.0115
Giardia lamblia DINP protein human, muc B family 0.0021 0.002 0.0072
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.002 0.0498
Echinococcus multilocularis dnaJ subfamily B 0.0448 0.0596 1
Echinococcus multilocularis methionine synthase reductase 0.0017 0.0014 0.024
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0015 0.0056
Echinococcus granulosus cpg binding protein 0.007 0.0086 0.1447
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0007 0.0115
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0331 0.0438 0.1606
Brugia malayi isocitrate dehydrogenase 0.0017 0.0015 0.0021
Plasmodium vivax flavodoxin domain containing protein 0.0024 0.0024 0.0088
Onchocerca volvulus 0.0068 0.0084 0.0083
Echinococcus multilocularis smad 0.0009 0.0004 0.0066
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0028 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0007 0.0009
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0015 0.0056
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.002 0.0072
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.2027 0.2726 1
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0015 0.0056
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0022 0.0021 0.0354
Schistosoma mansoni cpg binding protein 0.007 0.0086 0.1447
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0027 0.0028 0.0101

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 12.3 uM Ability of the compound for prevention of GSH depletion was measured in mouse ChEMBL. 12031315
EC50 (functional) = 12.3 uM Ability of the compound for prevention of GSH depletion was measured in mouse ChEMBL. 12031315
IC50 (binding) = 1.15 uM In vitro inhibition concentration of the compound was evaluated on the effect of conversion by Nitric Oxide synthase of [3H]-L-arginine into [3H]-L-citrulline ChEMBL. 12031315
IC50 (binding) = 1.15 uM In vitro inhibition concentration of the compound was evaluated on the effect of conversion by Nitric Oxide synthase of [3H]-L-arginine into [3H]-L-citrulline ChEMBL. 12031315
IC50 (functional) = 1.8 uM Neuroprotective effect was measured by its ability to protect mouse hippocampal neuronal HT-22 cell lines from oxidative stress caused by glutamate ChEMBL. 12031315
IC50 (functional) = 1.8 uM Neuroprotective effect was measured by its ability to protect mouse hippocampal neuronal HT-22 cell lines from oxidative stress caused by glutamate ChEMBL. 12031315

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12031315
Mus musculus ChEMBL23 12031315

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.