Detailed information for compound 256589

Basic information

Technical information
  • TDR Targets ID: 256589
  • Name: methyl N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxyphe nyl)-2-hydroxyiminopropanoyl]amino]ethyldisul fanyl]ethyl]carbamate
  • MW: 466.37 | Formula: C15H20BrN3O5S2
  • H donors: 4 H acceptors: 4 LogP: 2.56 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/C(=O)NCCSSCCNC(=O)OC)\Cc1ccc(c(c1)Br)O
  • InChi: 1S/C15H20BrN3O5S2/c1-24-15(22)18-5-7-26-25-6-4-17-14(21)12(19-23)9-10-2-3-13(20)11(16)8-10/h2-3,8,20,23H,4-7,9H2,1H3,(H,17,21)(H,18,22)/b19-12+
  • InChiKey: QBAGBBYBQAYFBT-XDHOZWIPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]carbamate
  • N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-1-oxopropyl]amino]ethyldisulfanyl]ethyl]carbamic acid methyl ester
  • N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroximino-propanoyl]amino]ethyldisulfanyl]ethyl]carbamic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Trypanosoma cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0156 0.0063
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.028 0.101 0.0929
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0206 0.0052
Echinococcus multilocularis histone deacetylase 0.0212 0.074 0.0653
Trypanosoma brucei histone deacetylase 4 0.0212 0.074 0.074
Toxoplasma gondii histone deacetylase HDAC4 0.011 0.0336 0.0336
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0103 0.0103
Brugia malayi histone deacetylase 3 (HD3) 0.0274 0.0988 0.0988
Brugia malayi Histone deacetylase family protein 0.0212 0.074 0.074
Leishmania major histone deacetylase, putative 0.0274 0.0988 0.0988
Schistosoma mansoni microsomal glutathione s-transferase 0.0064 0.0156 0.0067
Echinococcus multilocularis histone deacetylase 7 0.0212 0.074 0.0653
Echinococcus granulosus survival motor neuron protein 1 0.025 0.089 0.0805
Loa Loa (eye worm) hypothetical protein 0.0102 0.0306 0.0306
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0801 0.3072 0.2312
Loa Loa (eye worm) hypothetical protein 0.0077 0.0206 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0093 0.0004
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0007 0.0007
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0206 0.0119
Loa Loa (eye worm) histone deacetylase 3 0.0274 0.0988 0.0988
Echinococcus multilocularis adenosylhomocysteinase 0.2552 1 1
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.2552 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.074 0.074
Plasmodium vivax histone deacetylase, putative 0.0212 0.074 0.074
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.2552 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0856 0.3291 0.3228
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0156 0.0156
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.074 0.074
Schistosoma mansoni histone deacetylase 0.0274 0.0988 0.0907
Trypanosoma brucei histone deacetylase 3 0.0212 0.074 0.074
Brugia malayi histone deacetylase 1 (HD1) 0.0274 0.0988 0.0988
Echinococcus multilocularis histone deacetylase 6 0.0212 0.074 0.0653
Echinococcus granulosus histone deacetylase 7 0.0212 0.074 0.0653
Brugia malayi Histone deacetylase 1 0.0274 0.0988 0.0988
Loa Loa (eye worm) adenosylhomocysteinase 0.2552 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0306 0.0306
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.012 0.012
Trypanosoma cruzi histone deacetylase 1, putative 0.0274 0.0988 0.0988
Echinococcus granulosus histone deacetylase 6 0.0212 0.074 0.0653
Loa Loa (eye worm) hypothetical protein 0.0274 0.0988 0.0988
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.089 0.0805
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.074 0.0657
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0102 0.0009
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.074 0.0657
Schistosoma mansoni adenosylhomocysteinase 0.1579 0.6151 0.6116
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0206 0.5
Schistosoma mansoni histone deacetylase 0.0274 0.0988 0.0907
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0007 0.0007
Plasmodium falciparum adenosylhomocysteinase 0.2552 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0068 0.0169 0.0077
Brugia malayi hypothetical protein 0.025 0.089 0.089
Plasmodium vivax histone deacetylase, putative 0.011 0.0336 0.0336
Leishmania major histone deacetylase, putative 0.0274 0.0988 0.0988
Entamoeba histolytica adenosylhomocysteinase, putative 0.2552 1 1
Toxoplasma gondii MAPEG family protein 0.0064 0.0156 0.0156
Brugia malayi Histone deacetylase family protein 0.0212 0.074 0.074
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0156 0.0067
Schistosoma mansoni hypothetical protein 0.0304 0.1106 0.1026
Echinococcus granulosus histone deacetylase 1 0.0274 0.0988 0.0904
Trypanosoma brucei histone deacetylase, putative 0.0212 0.074 0.074
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0206 0.5
Echinococcus multilocularis X box binding protein 1 0.0304 0.1106 0.1022
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0093 0.0093
Toxoplasma gondii adenosylhomocysteinase, putative 0.2552 1 1
Toxoplasma gondii histone deacetylase HDAC5 0.011 0.0336 0.0336
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0206 0.0206
Brugia malayi Cytochrome P450 family protein 0.0055 0.012 0.012
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0206 0.0115
Trypanosoma cruzi histone deacetylase 1, putative 0.0274 0.0988 0.0988
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0093 0.0093
Brugia malayi histone deacetylase 11 0.011 0.0336 0.0336
Schistosoma mansoni histone deacetylase 1 2 3 0.011 0.0336 0.0249
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0156 0.0055
Trypanosoma brucei histone deacetylase 1 0.0274 0.0988 0.0988
Loa Loa (eye worm) histone deacetylase 1 0.0274 0.0988 0.0988
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0206 0.02
Echinococcus granulosus adenosylhomocysteinase 0.2552 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0156 0.0063
Giardia lamblia Histone deacetylase 0.0274 0.0988 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0206 0.0206
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.2552 1 1
Loa Loa (eye worm) hypothetical protein 0.025 0.089 0.089
Plasmodium falciparum histone deacetylase 2 0.0212 0.074 0.074
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0102 0.0009
Leishmania major histone deacetylase, putative 0.0212 0.074 0.074
Toxoplasma gondii histone deacetylase HDAC3 0.0274 0.0988 0.0988
Echinococcus granulosus histone deacetylase 0.0212 0.074 0.0653
Plasmodium vivax histone deacetylase 1, putative 0.0274 0.0988 0.0988
Onchocerca volvulus Histone deacetylase 10 homolog 0.011 0.0336 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0103 0.0015
Toxoplasma gondii histone deacetylase HDAC1 0.0212 0.074 0.074
Echinococcus granulosus histone deacetylase 6 0.0212 0.074 0.0653
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.2552 1 1
Leishmania major histone deacetylase, putative 0.0212 0.074 0.074
Brugia malayi Probable ClpP-like protease 0.0077 0.0206 0.0206
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0206 1
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.074 0.074
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0156 0.0067
Echinococcus multilocularis histone deacetylase 6 0.0212 0.074 0.0653
Echinococcus multilocularis histone deacetylase 3 0.0274 0.0988 0.0904
Trypanosoma cruzi histone deacetylase, putative 0.011 0.0336 0.0336
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0206 0.0206
Loa Loa (eye worm) histone deacetylase 0.0212 0.074 0.074
Toxoplasma gondii histone deacetylase HDAC2 0.0274 0.0988 0.0988
Schistosoma mansoni adenosylhomocysteinase 0.2552 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0212 0.074 0.074
Trichomonas vaginalis adenosylhomocysteinase, putative 0.2552 1 1
Echinococcus granulosus histone deacetylase 6 0.0212 0.074 0.0653
Echinococcus granulosus X box binding protein 1 0.0304 0.1106 0.1022
Echinococcus granulosus histone deacetylase 3 0.0274 0.0988 0.0904
Echinococcus multilocularis histone deacetylase 1 0.0274 0.0988 0.0904
Trichomonas vaginalis adenosylhomocysteinase, putative 0.2552 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0206 0.0206
Schistosoma mansoni histone deacetylase hda2 0.011 0.0336 0.0249
Toxoplasma gondii hypothetical protein 0.0027 0.0007 0.0007
Schistosoma mansoni adenosylhomocysteinase 0.1579 0.6151 0.6116
Loa Loa (eye worm) histone deacetylase 7A 0.0212 0.074 0.074
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.2552 1 1
Loa Loa (eye worm) histone deacetylase 11 0.011 0.0336 0.0336
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0206 0.0115
Echinococcus granulosus histone deacetylase 8 0.011 0.0336 0.0245
Schistosoma mansoni hypothetical protein 0.0051 0.0103 0.0015
Schistosoma mansoni adenosylhomocysteinase 0.1579 0.6151 0.6116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0093 0.0004
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0206 0.0052
Leishmania major S-adenosylhomocysteine hydrolase 0.2552 1 1
Trypanosoma cruzi histone deacetylase, putative 0.011 0.0336 0.0336
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0068 0.0169 0.0077
Schistosoma mansoni lipoxygenase 0.0068 0.0169 0.0081
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.2552 1 1
Schistosoma mansoni histone deacetylase hda2 0.0212 0.074 0.0657
Echinococcus multilocularis histone deacetylase 8 0.011 0.0336 0.0245
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0156 0.0156
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0102 0.0095
Echinococcus granulosus microsomal glutathione S transferase 3 0.0064 0.0156 0.0063
Echinococcus multilocularis histone deacetylase 6 0.0212 0.074 0.0653
Loa Loa (eye worm) hypothetical protein 0.011 0.0336 0.0336
Plasmodium falciparum histone deacetylase 1 0.0274 0.0988 0.0988
Trypanosoma brucei histone deacetylase 2 0.011 0.0336 0.0336
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.2552 1 1
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.2552 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0206 0.5
Schistosoma mansoni adenosylhomocysteinase 0.1579 0.6151 0.6116
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0064 0.0156 0.0063
Plasmodium falciparum histone deacetylase, putative 0.0212 0.074 0.074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0093 0.0004

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.17 ug ml-1 Cytotoxicity against human SKOV3 cells ChEMBL. 14640526
ED50 (functional) = 0.2 ug ml-1 Cytotoxicity against human SK-MEL-2 cells ChEMBL. 14640526
ED50 (functional) = 0.6 ug ml-1 Cytotoxicity against human XF498 cells ChEMBL. 14640526
ED50 (functional) = 0.8 ug ml-1 Cytotoxicity against human A549 cells ChEMBL. 14640526
ED50 (functional) = 1.23 ug ml-1 Cytotoxicity against human HCT15 cells ChEMBL. 14640526
IC50 (binding) = 44 nM Inhibitory concentration against isolated Histone deacetylase ChEMBL. 14613312
IC50 (binding) = 44 nM Inhibitory concentration against isolated Histone deacetylase ChEMBL. 14613312

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

1 literature reference was collected for this gene.

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