Detailed information for compound 350126

Basic information

Technical information
  • TDR Targets ID: 350126
  • Name: N-hydroxy-6-phenylsulfanylhexanamide
  • MW: 239.334 | Formula: C12H17NO2S
  • H donors: 2 H acceptors: 2 LogP: 2.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCSc1ccccc1
  • InChi: 1S/C12H17NO2S/c14-12(13-15)9-5-2-6-10-16-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
  • InChiKey: RFQHGQGHSXXDPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-phenylsulfanylhexanehydroxamic acid
  • 6-(phenylthio)hexanehydroxamic acid
  • N-hydroxy-6-phenylsulfanyl-hexanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Rattus norvegicus Histone deacetylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Histone deacetylase 4, putative 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
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
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 hominis histone deacetylase 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
Trichomonas vaginalis histone deacetylase, 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
Leishmania braziliensis histone deacetylase, putative 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
Schistosoma mansoni histone deacetylase 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
Loa Loa (eye worm) histone deacetylase 1 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
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase, putative 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
Trypanosoma congolense histone deacetylase 4 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
Theileria parva histone deacetylase, 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
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 japonicum Histone deacetylase 10, 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
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
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
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
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
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum 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
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase 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
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein 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
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 7 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
Plasmodium yoelii hypothetical protein 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
Loa Loa (eye worm) hypothetical 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
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 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
Leishmania donovani histone deacetylase, putative 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
Plasmodium berghei histone deacetylase 2, putative 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
Neospora caninum 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
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
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
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
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
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
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
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative 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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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 parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus 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
Plasmodium vivax histone deacetylase 2, 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
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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
Trypanosoma cruzi histone deacetylase, 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
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase 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, 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
Plasmodium knowlesi histone deacetylase 2, 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
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 1 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 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
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum hypothetical 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
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,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
Trypanosoma congolense histone deacetylase-like 1 protein, 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
Neospora caninum hypothetical protein 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
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
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
Echinococcus granulosus histone deacetylase 6 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
Leishmania major histone deacetylase, putative Histone deacetylase   328 aa 338 aa 29.3 %
Leishmania mexicana histone deacetylase, putative Histone deacetylase   328 aa 267 aa 33.3 %
Loa Loa (eye worm) hypothetical protein Histone deacetylase   328 aa 272 aa 29.8 %
Echinococcus granulosus histone deacetylase 6 Histone deacetylase   328 aa 338 aa 34.6 %
Leishmania braziliensis histone deacetylase, putative Histone deacetylase   328 aa 284 aa 30.3 %
Echinococcus granulosus histone deacetylase 6 Histone deacetylase   328 aa 309 aa 38.5 %
Theileria parva histone deacetylase, putative Histone deacetylase   328 aa 278 aa 28.8 %
Trypanosoma congolense histone deacetylase 4 Histone deacetylase   328 aa 285 aa 30.9 %
Schistosoma mansoni histone deacetylase hda2 Histone deacetylase   328 aa 282 aa 38.3 %
Schistosoma japonicum ko:K01463 HDAC6,histone deacetylase [EC:3.5.1.-], putative Histone deacetylase   328 aa 278 aa 39.6 %
Schistosoma japonicum Histone deacetylase 4, putative Histone deacetylase   328 aa 285 aa 50.9 %
Trypanosoma congolense histone deacetylase 4 Histone deacetylase   328 aa 325 aa 29.8 %
Babesia bovis histone deacetylase, putative Histone deacetylase   328 aa 271 aa 28.4 %
Cryptosporidium parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus Histone deacetylase   328 aa 278 aa 28.4 %
Echinococcus multilocularis histone deacetylase 7 Histone deacetylase   328 aa 353 aa 40.8 %
Echinococcus multilocularis histone deacetylase 6 Histone deacetylase   328 aa 295 aa 36.3 %
Onchocerca volvulus Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase homolog Histone deacetylase   328 aa 279 aa 29.0 %
Cryptosporidium hominis hypothetical protein Histone deacetylase   328 aa 278 aa 28.1 %
Echinococcus multilocularis histone deacetylase 6 Histone deacetylase   328 aa 309 aa 38.2 %
Onchocerca volvulus Histone deacetylase   328 aa 267 aa 54.3 %
Leishmania infantum histone deacetylase, putative Histone deacetylase   328 aa 338 aa 29.9 %
Echinococcus granulosus histone deacetylase 7 Histone deacetylase   328 aa 353 aa 41.1 %
Leishmania donovani histone deacetylase, putative Histone deacetylase   328 aa 338 aa 29.6 %
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Histone deacetylase   328 aa 268 aa 40.7 %
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Histone deacetylase   328 aa 268 aa 40.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0056 0.7484 0.7451
Trichomonas vaginalis histone deacetylase, putative 0.0051 0.6264 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0631 0.0631
Plasmodium vivax histone deacetylase 2, putative 0.0066 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.0631 0.0507
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 0.7484 0.7451
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0056 0.7484 0.7451
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0051 0.6264 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0056 0.7484 0.7451
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0056 0.7484 0.7451
Brugia malayi Steroid receptor seven-up type 2 0.0056 0.7484 0.7451
Echinococcus multilocularis histone deacetylase 1 0.0051 0.6264 0.6214
Plasmodium falciparum histone deacetylase 2 0.0066 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.6204 0.6204
Schistosoma mansoni coup transcription factor 0.0056 0.7484 0.7451
Echinococcus granulosus histone deacetylase 6 0.0066 1 1
Schistosoma mansoni hypothetical protein 0.0053 0.6716 0.6672
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0056 0.7484 0.7484
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0056 0.7484 0.7451
Echinococcus multilocularis ecdysone induced protein 78C 0.0056 0.7484 0.7451
Loa Loa (eye worm) histone deacetylase 0.0066 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.7484 0.7451
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.003 0.0631 0.0631
Brugia malayi photoreceptor-specific nuclear receptor 0.0056 0.7484 0.7451
Onchocerca volvulus Protein ultraspiracle homolog 0.0056 0.7484 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0056 0.7484 0.7484
Echinococcus multilocularis FTZ F1 alpha 0.0056 0.7484 0.7451
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0056 0.7484 0.7451
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0056 0.7484 0.7451
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0056 0.7484 0.7451
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0056 0.7484 0.7451
Schistosoma mansoni histone deacetylase 4 5 0.0066 1 1
Brugia malayi Histone deacetylase family protein 0.0066 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0056 0.7484 0.7451
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0056 0.7484 0.7451
Brugia malayi histone deacetylase 1 (HD1) 0.0051 0.6264 0.6214
Trypanosoma brucei histone deacetylase 4 0.0066 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0056 0.7484 0.7484
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 0.7484 0.7451
Echinococcus granulosus histone deacetylase 7 0.0066 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0056 0.7484 0.7451
Echinococcus granulosus histone deacetylase 1 0.0051 0.6264 0.6214
Echinococcus granulosus ecdysone induced protein 78C 0.0056 0.7484 0.7451
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0056 0.7484 0.7451
Echinococcus multilocularis histone deacetylase 6 0.0066 1 1
Brugia malayi hypothetical protein 0.003 0.0631 0.0507
Echinococcus granulosus FTZ F1 alpha 0.0056 0.7484 0.7451
Onchocerca volvulus 0.0056 0.7484 1
Trypanosoma cruzi histone deacetylase, putative 0.0066 1 1
Echinococcus multilocularis histone deacetylase 3 0.0051 0.6264 0.6214
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Loa Loa (eye worm) hypothetical protein 0.0051 0.6264 0.6264
Trypanosoma cruzi histone deacetylase, putative 0.0066 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0056 0.7484 0.7451
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0056 0.7484 0.7451
Brugia malayi Nuclear hormone receptor-like 1 0.0056 0.7484 0.7451
Loa Loa (eye worm) hypothetical protein 0.003 0.0631 0.0631
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0056 0.7484 0.7484
Echinococcus granulosus histone deacetylase 6 0.0066 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0051 0.6264 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0056 0.7484 0.7484
Trichomonas vaginalis histone deacetylase, putative 0.0051 0.6264 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0631 0.0507
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 0.7484 0.7451
Trichomonas vaginalis histone deacetylase, putative 0.0051 0.6264 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0631 0.0631
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.7484 0.7451
Echinococcus granulosus histone deacetylase 3 0.0051 0.6264 0.6214
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.7484 0.7451
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0056 0.7484 0.7451
Echinococcus multilocularis histone deacetylase 6 0.0066 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.0631 0.0507
Schistosoma mansoni thyroid hormone receptor 0.0056 0.7484 0.7451
Schistosoma mansoni nuclear hormone receptor 0.0056 0.7484 0.7451
Brugia malayi hypothetical protein 0.003 0.0631 0.0507
Onchocerca volvulus Bile acid receptor homolog 0.0056 0.7484 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0056 0.7484 0.7451
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 0.7484 0.7451
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Schistosoma mansoni histone deacetylase hda2 0.0066 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0051 0.6264 0.5
Brugia malayi nuclear hormone receptor 0.0056 0.7484 0.7451
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0056 0.7484 1
Toxoplasma gondii histone deacetylase HDAC1 0.0066 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0051 0.6264 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.7484 0.7451
Schistosoma mansoni histone deacetylase 0.0051 0.6264 0.6214
Trichomonas vaginalis histone deacetylase, putative 0.0051 0.6264 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 0.7484 0.7451
Schistosoma mansoni thyroid hormone receptor 0.0056 0.7484 0.7451
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Schistosoma mansoni histone deacetylase 0.0051 0.6264 0.6214
Echinococcus multilocularis thyroid hormone receptor alpha 0.0056 0.7484 0.7451
Brugia malayi nuclear receptor NHR-88 0.0056 0.7484 0.7451
Plasmodium falciparum histone deacetylase, putative 0.0066 1 1
Echinococcus multilocularis histone deacetylase 7 0.0066 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 0.7484 0.7451
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0631 0.0507
Trypanosoma cruzi histone deacetylase, putative 0.0066 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0056 0.7484 0.7484
Schistosoma mansoni steroid hormone receptor ad4bp 0.0056 0.7484 0.7451
Loa Loa (eye worm) histone deacetylase 3 0.0051 0.6264 0.6264
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0056 0.7484 0.7451
Brugia malayi steroid hormone receptor 0.0056 0.7484 0.7451
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0051 0.6264 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.6204 0.6204
Schistosoma mansoni retinoic acid receptor RXR 0.0056 0.7484 0.7451
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Echinococcus multilocularis histone deacetylase 6 0.0066 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0131 0.0131
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0056 0.7484 0.7451
Leishmania major histone deacetylase, putative 0.0066 1 1
Brugia malayi nuclear receptor RXR 0.003 0.0631 0.0507
Leishmania major histone deacetylase, putative 0.0066 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0051 0.6264 0.6264
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0131 0.0131
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0056 0.7484 0.7451
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0056 0.7484 0.7484
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Echinococcus granulosus histone deacetylase 0.0066 1 1
Brugia malayi histone deacetylase 3 (HD3) 0.0051 0.6264 0.6214
Echinococcus granulosus histone deacetylase 6 0.0066 1 1
Echinococcus multilocularis histone deacetylase 0.0066 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0056 0.7484 0.7451
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Loa Loa (eye worm) histone deacetylase 7A 0.0066 1 1
Plasmodium vivax histone deacetylase, putative 0.0066 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0631 0.0631
Brugia malayi ecdysteroid receptor 0.0056 0.7484 0.7451
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Loa Loa (eye worm) hypothetical protein 0.003 0.0631 0.0631
Loa Loa (eye worm) hypothetical protein 0.0028 0.0131 0.0131
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0056 0.7484 0.7484
Brugia malayi Histone deacetylase 1 0.0051 0.6264 0.6214
Trypanosoma brucei histone deacetylase 3 0.0066 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0056 0.7484 0.7451
Giardia lamblia Histone deacetylase 0.0051 0.6264 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0066 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0631 0.0507
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.0631 0.0507
Loa Loa (eye worm) hypothetical protein 0.0056 0.7484 0.7484
Entamoeba histolytica histone deacetylase, putative 0.0051 0.6264 0.5
Trypanosoma brucei histone deacetylase, putative 0.0066 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0056 0.7484 0.7451

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of HDAC in rat liver homogenate ChEMBL. 16420064
IC50 (binding) = 0.12 uM Inhibition of human liver HDAC ChEMBL. 18247554
IC50 (binding) = 0.12 uM Inhibition of HDAC in rat liver homogenate ChEMBL. 16420064
IC50 (binding) = 0.12 uM Inhibition of human liver HDAC ChEMBL. 18247554
IC50 (binding) = 9.4 uM Inhibition of HDAC in human leukemic CEM cells ChEMBL. 16420064
IC50 (binding) = 9.4 uM Inhibition of HDAC in human CEM cells ChEMBL. 18247554
IC50 (binding) = 9.4 uM Inhibition of HDAC in human leukemic CEM cells ChEMBL. 16420064
IC50 (binding) = 9.4 uM Inhibition of HDAC in human CEM cells ChEMBL. 18247554
IC50 (functional) > 25 uM Inhibition of human leukemic CEM cell viability ChEMBL. 16420064
IC50 (functional) > 25 uM Inhibition of human CEM cells assessed as viability ChEMBL. 18247554
IC50 (functional) > 25 uM Inhibition of human leukemic CEM cell viability ChEMBL. 16420064
IC50 (functional) > 25 uM Inhibition of human CEM cells assessed as viability ChEMBL. 18247554

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.
 
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

2 literature references were collected for this gene.

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