Detailed information for compound 954002

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.328 | Formula: C15H18N4O4
  • H donors: 4 H acceptors: 4 LogP: 0.43 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCNC(=O)c1noc(c1)c1cccc(c1)N
  • InChi: 1S/C15H18N4O4/c16-11-5-3-4-10(8-11)13-9-12(19-23-13)15(21)17-7-2-1-6-14(20)18-22/h3-5,8-9,22H,1-2,6-7,16H2,(H,17,21)(H,18,20)
  • InChiKey: LCEBFBMOFAYCLM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 10 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani histone deacetylase, 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
Trichomonas vaginalis histone deacetylase, 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
Echinococcus granulosus histone deacetylase 6 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 histone deacetylase 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
Loa Loa (eye worm) histone deacetylase 7A 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
Plasmodium yoelii Histone deacetylase family, 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
Schistosoma japonicum Histone deacetylase 6, 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 1 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_126654 All targets in OG5_126654
Neospora caninum hypothetical protein 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
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
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi 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
Babesia bovis 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
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
Brugia malayi histone deacetylase 3 (HD3) 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
Echinococcus granulosus histone deacetylase 3 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
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
Brugia malayi Histone deacetylase 1 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
Schistosoma mansoni 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
Brugia malayi Histone deacetylase family protein 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 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
Trypanosoma congolense histone deacetylase-like 1 protein, 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase hda2 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
Schistosoma japonicum Histone deacetylase 10, 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
Schistosoma mansoni histone deacetylase 4 5 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 hominis 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
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 3 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
Schistosoma japonicum hypothetical protein 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 7 Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva 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
Leishmania infantum histone deacetylase, putative 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
Trypanosoma congolense histone deacetylase 4 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_126742 All targets in OG5_126742
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Leishmania major histone deacetylase, 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 Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 7 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 japonicum Histone deacetylase 10, putative 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase 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
Giardia lamblia Histone deacetylase 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 1, 2 ,3, 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
Plasmodium vivax 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 granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein 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
Echinococcus multilocularis histone deacetylase 1 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
Plasmodium knowlesi 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax 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
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 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 deacetylase HDA2/Rpd3p 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 1, putative 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
Plasmodium falciparum 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
Trypanosoma brucei 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 braziliensis 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
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma cruzi histone deacetylase, putative 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 2, putative 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 cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0227 0.6228 0.6228
Trypanosoma cruzi histone deacetylase, putative 0.0209 0.5159 0.5159
Trichomonas vaginalis histone deacetylase, putative 0.0289 1 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0227 0.6228 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0289 1 1
Echinococcus multilocularis histone deacetylase 1 0.0289 1 1
Trypanosoma brucei histone deacetylase 4 0.0209 0.5159 0.5159
Schistosoma mansoni retinoic acid receptor RXR 0.0227 0.6228 0.6228
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Trichomonas vaginalis histone deacetylase, putative 0.0289 1 0.5
Brugia malayi nuclear receptor NHR-88 0.0227 0.6228 0.6228
Echinococcus granulosus histone deacetylase 6 0.0217 0.5611 0.5611
Schistosoma mansoni histone deacetylase 0.0289 1 1
Schistosoma mansoni coup transcription factor 0.0227 0.6228 0.6228
Trypanosoma brucei histone deacetylase, putative 0.0209 0.5159 0.5159
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0227 0.6228 0.6228
Echinococcus granulosus histone deacetylase 1 0.0289 1 1
Echinococcus multilocularis histone deacetylase 6 0.0209 0.5159 0.5159
Schistosoma mansoni thyroid hormone receptor 0.0227 0.6228 0.6228
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Plasmodium vivax histone deacetylase, putative 0.0209 0.5159 0.5159
Plasmodium vivax histone deacetylase 1, putative 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Entamoeba histolytica histone deacetylase, putative 0.0289 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0227 0.6228 0.6228
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0227 0.6228 0.6228
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Echinococcus multilocularis histone deacetylase 7 0.0209 0.5159 0.5159
Trichomonas vaginalis histone deacetylase, putative 0.0289 1 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0209 0.5159 0.5159
Toxoplasma gondii histone deacetylase HDAC2 0.0289 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0209 0.5159 0.5159
Brugia malayi nuclear hormone receptor 0.0227 0.6228 0.6228
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Trichomonas vaginalis histone deacetylase, putative 0.0289 1 0.5
Echinococcus granulosus histone deacetylase 6 0.0209 0.5159 0.5159
Echinococcus multilocularis thyroid hormone receptor alpha 0.0227 0.6228 0.6228
Plasmodium vivax histone deacetylase 2, putative 0.0209 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Echinococcus multilocularis FTZ F1 alpha 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0227 0.6228 0.6228
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0227 0.6228 0.6228
Plasmodium falciparum histone deacetylase 1 0.0289 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0227 0.6228 0.6228
Trypanosoma cruzi histone deacetylase, putative 0.0209 0.5159 0.5159
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0227 0.6228 0.6228
Echinococcus granulosus histone deacetylase 0.0209 0.5159 0.5159
Onchocerca volvulus 0.0227 0.6228 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0227 0.6228 0.6228
Echinococcus multilocularis histone deacetylase 0.0209 0.5159 0.5159
Schistosoma mansoni RAR-like nuclear receptor 0.0227 0.6228 0.6228
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0227 0.6228 0.6228
Echinococcus multilocularis histone deacetylase 6 0.0209 0.5159 0.5159
Brugia malayi Histone deacetylase 1 0.0289 1 1
Brugia malayi steroid hormone receptor 0.0227 0.6228 0.6228
Trichomonas vaginalis histone deacetylase, putative 0.0289 1 0.5
Schistosoma mansoni histone deacetylase 0.0289 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0227 0.6228 0.6228
Brugia malayi photoreceptor-specific nuclear receptor 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0227 0.6228 0.6228
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289 1 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0209 0.5159 0.5159
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0227 0.6228 0.6228
Echinococcus multilocularis histone deacetylase 3 0.0289 1 1
Leishmania major histone deacetylase, putative 0.0289 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0227 0.6228 0.6228
Echinococcus granulosus histone deacetylase 6 0.0209 0.5159 0.5159
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0227 0.6228 0.6228
Loa Loa (eye worm) histone deacetylase 3 0.0289 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0227 0.6228 0.6228
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0227 0.6228 0.6228
Leishmania major histone deacetylase, putative 0.0289 1 1
Schistosoma mansoni histone deacetylase hda2 0.0217 0.5611 0.5611
Loa Loa (eye worm) steroid hormone receptor 0.0227 0.6228 0.6228
Giardia lamblia Histone deacetylase 0.0289 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0227 0.6228 0.6228
Schistosoma mansoni thyroid hormone receptor 0.0227 0.6228 0.6228
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0227 0.6228 0.6228
Trypanosoma brucei histone deacetylase 3 0.0209 0.5159 0.5159
Echinococcus granulosus histone deacetylase 7 0.0209 0.5159 0.5159
Echinococcus granulosus ecdysone induced protein 78C 0.0227 0.6228 0.6228
Toxoplasma gondii histone deacetylase HDAC1 0.0209 0.5159 0.5159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0227 0.6228 0.6228
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0227 0.6228 0.6228
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0227 0.6228 0.6228
Loa Loa (eye worm) histone deacetylase 0.0209 0.5159 0.5159
Echinococcus multilocularis ecdysone induced protein 78C 0.0227 0.6228 0.6228
Brugia malayi ecdysteroid receptor 0.0227 0.6228 0.6228
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0227 0.6228 0.6228
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0227 0.6228 0.6228
Trypanosoma brucei histone deacetylase 1 0.0289 1 1
Echinococcus multilocularis histone deacetylase 6 0.0217 0.5611 0.5611
Brugia malayi Histone deacetylase family protein 0.0209 0.5159 0.5159
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0227 0.6228 0.6228
Trypanosoma cruzi histone deacetylase 1, putative 0.0289 1 1
Echinococcus granulosus FTZ F1 alpha 0.0227 0.6228 0.6228
Loa Loa (eye worm) hypothetical protein 0.0227 0.6228 0.6228
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0227 0.6228 0.6228
Onchocerca volvulus Bile acid receptor homolog 0.0227 0.6228 1
Brugia malayi Histone deacetylase family protein 0.0209 0.5159 0.5159
Echinococcus granulosus histone deacetylase 3 0.0289 1 1
Toxoplasma gondii histone deacetylase HDAC3 0.0289 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0227 0.6228 0.6228
Brugia malayi histone deacetylase 1 (HD1) 0.0289 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0227 0.6228 0.6228
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0227 0.6228 0.6228
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0227 0.6228 0.6228
Loa Loa (eye worm) histone deacetylase 7A 0.0209 0.5159 0.5159
Loa Loa (eye worm) histone deacetylase 1 0.0289 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0227 0.6228 0.6228
Trichomonas vaginalis histone deacetylase, putative 0.0289 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0227 0.6228 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0227 0.6228 0.6228
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0227 0.6228 0.6228
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0227 0.6228 0.6228
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0227 0.6228 0.6228
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0227 0.6228 0.6228

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 72.2 nM Inhibition of HDAC6 after 17 hrs ChEMBL. 18642892
IC50 (binding) = 144 nM Inhibition of HDAC3 after 17 hrs ChEMBL. 18642892
IC50 (binding) = 716 nM Inhibition of HDAC1 after 17 hrs ChEMBL. 18642892
IC50 (binding) = 840 nM Inhibition of HDAC10 after 17 hrs ChEMBL. 18642892
IC50 (binding) = 1940 nM Inhibition of HDAC2 after 17 hrs ChEMBL. 18642892
IC50 (binding) = 3430 nM Inhibition of HDAC8 after 17 hrs ChEMBL. 18642892
IC50 (functional) = 25 uM Antiproliferative activity against human MiaPaca2 cells after 72 hrs by MTT assay ChEMBL. 18642892
IC50 (functional) = 37 uM Antiproliferative activity against human HupT3 cells after 72 hrs by MTT assay ChEMBL. 18642892
IC50 (functional) = 38 uM Antiproliferative activity against human BxPC3 cells after 72 hrs by MTT assay ChEMBL. 18642892

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

1 literature reference was collected for this gene.

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