Detailed information for compound 1819911

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.513 | Formula: C22H32N4O5
  • H donors: 5 H acceptors: 5 LogP: 1.05 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCC[C@@H](C(=O)NCCc1ccccc1)NC(=O)[C@@H]1CCCC(=O)N1
  • InChi: 1S/C22H32N4O5/c27-19-13-7-11-18(24-19)22(30)25-17(10-5-2-6-12-20(28)26-31)21(29)23-15-14-16-8-3-1-4-9-16/h1,3-4,8-9,17-18,31H,2,5-7,10-15H2,(H,23,29)(H,24,27)(H,25,30)(H,26,28)/t17-,18-/m0/s1
  • InChiKey: NWDGFYIDKSNNQH-ROUUACIJSA-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 11 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis histone deacetylase, putative 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia 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
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
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 Histone deacetylase 4, 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
Leishmania mexicana 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
Cryptosporidium hominis hypothetical protein 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 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
Neospora caninum hypothetical protein 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 3 Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein Get druggable targets OG5_129938 All targets in OG5_129938
Echinococcus granulosus histone deacetylase 6 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
Loa Loa (eye worm) hypothetical protein 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
Plasmodium knowlesi histone deacetylase 2, 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
Toxoplasma gondii histone deacetylase HDAC1 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
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Trypanosoma cruzi histone deacetylase, putative 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum hypothetical protein 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
Trypanosoma congolense histone deacetylase-like 1 protein, 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
Theileria parva histone deacetylase, 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
Toxoplasma gondii histone deacetylase HDAC2 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
Theileria parva 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
Echinococcus granulosus 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
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC4 Get druggable targets OG5_129938 All targets in OG5_129938
Leishmania mexicana 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Plasmodium falciparum 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
Trypanosoma cruzi histone deacetylase 1, 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
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
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis 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
Leishmania infantum 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
Trypanosoma brucei histone deacetylase 3 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
Schistosoma japonicum Histone deacetylase 6, 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
Loa Loa (eye worm) histone deacetylase 7A 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
Schistosoma japonicum Histone deacetylase 4, putative 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
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 11 Get druggable targets OG5_129938 All targets in OG5_129938
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129938 All targets in OG5_129938
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Echinococcus multilocularis histone deacetylase 1 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 mexicana 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
Leishmania infantum histone deacetylase, 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
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 1 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
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 multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 11 Get druggable targets OG5_129938 All targets in OG5_129938
Plasmodium knowlesi histone deacetylase 1, 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
Plasmodium yoelii histone deacetylase/AcuC/AphA family protein, putative Get druggable targets OG5_129938 All targets in OG5_129938
Trypanosoma cruzi 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
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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
Loa Loa (eye worm) histone deacetylase 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
Trichomonas vaginalis histone deacetylase, putative 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
Theileria parva hypothetical protein 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
Leishmania mexicana histone deacetylase, putative 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
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_129938 All targets in OG5_129938
Leishmania donovani histone deacetylase, putative 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
Brugia malayi histone deacetylase 3 (HD3) 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
Trichomonas vaginalis histone deacetylase, putative 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
Plasmodium vivax 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 4 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 multilocularis histone deacetylase 7 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
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein 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
Schistosoma mansoni histone deacetylase 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
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_129938 All targets in OG5_129938
Trichomonas vaginalis histone deacetylase, 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
Echinococcus granulosus histone deacetylase 6 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
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_129938 All targets in OG5_129938

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Brugia malayi Histone deacetylase family protein histone deacetylase 11 296 aa 290 aa 24.5 %
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
Brugia malayi Histone deacetylase 1 0.0311 0.7848 0.6385
Loa Loa (eye worm) histone deacetylase 11 0.0356 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.7848 1
Echinococcus multilocularis aldo keto reductase 0.0275 0.6111 0.6881
Trypanosoma brucei aldo-keto reductase, putative 0.0275 0.6111 0.7787
Toxoplasma gondii histone deacetylase HDAC3 0.0311 0.7848 0.7848
Echinococcus granulosus aldo keto reductase 0.0275 0.6111 0.6881
Loa Loa (eye worm) oxidoreductase 0.0275 0.6111 0.6111
Loa Loa (eye worm) oxidoreductase 0.0275 0.6111 0.6111
Plasmodium falciparum histone deacetylase 1 0.0311 0.7848 1
Schistosoma mansoni pol-related 0.0275 0.6111 0.7787
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.7848 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.7848 1
Loa Loa (eye worm) oxidoreductase 0.0275 0.6111 0.6111
Echinococcus granulosus hypothetical protein 0.0275 0.6111 0.6881
Schistosoma mansoni aldo-keto reductase 0.0275 0.6111 0.7787
Loa Loa (eye worm) histone deacetylase 7A 0.0231 0.4049 0.4049
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0275 0.6111 1
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0333 0.8881 1
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.7848 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Echinococcus granulosus histone deacetylase 6 0.0231 0.4049 0.4559
Mycobacterium tuberculosis Probable oxidoreductase 0.0275 0.6111 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Leishmania major histone deacetylase, putative 0.0311 0.7848 1
Trypanosoma brucei histone deacetylase 1 0.0311 0.7848 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Loa Loa (eye worm) histone deacetylase 3 0.0311 0.7848 0.7848
Trypanosoma cruzi histone deacetylase, putative 0.0231 0.4049 0.5159
Toxoplasma gondii aldose reductase, putative 0.0275 0.6111 0.6111
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0275 0.6111 0.5429
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0275 0.6111 0.5429
Onchocerca volvulus 0.0275 0.6111 1
Echinococcus granulosus histone deacetylase 6 0.0239 0.4404 0.4958
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0275 0.6111 0.3466
Loa Loa (eye worm) hypothetical protein 0.0275 0.6111 0.6111
Schistosoma mansoni histone deacetylase hda2 0.0239 0.4404 0.5611
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Onchocerca volvulus 0.0275 0.6111 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0275 0.6111 0.7787
Brugia malayi histone deacetylase 3 (HD3) 0.0311 0.7848 0.6385
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0275 0.6111 0.3466
Schistosoma mansoni histone deacetylase 0.0311 0.7848 1
Onchocerca volvulus 0.0275 0.6111 1
Echinococcus granulosus histone deacetylase 7 0.0231 0.4049 0.4559
Echinococcus multilocularis histone deacetylase 1 0.0311 0.7848 0.8837
Echinococcus multilocularis histone deacetylase 3 0.0311 0.7848 0.8837
Echinococcus multilocularis aldo keto reductase 0.0275 0.6111 0.6881
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0275 0.6111 0.3466
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Leishmania major histone deacetylase, putative 0.0311 0.7848 1
Leishmania major aldo-keto reductase-like protein 0.0275 0.6111 0.5429
Echinococcus multilocularis histone deacetylase 6 0.0239 0.4404 0.4958
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Loa Loa (eye worm) hypothetical protein 0.021 0.3039 0.3039
Giardia lamblia Histone deacetylase 0.0311 0.7848 1
Echinococcus multilocularis histone deacetylase 6 0.0231 0.4049 0.4559
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Trypanosoma brucei prostaglandin f synthase 0.0275 0.6111 0.7787
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.7848 1
Echinococcus granulosus aldo keto reductase 0.0275 0.6111 0.6881
Echinococcus granulosus histone deacetylase 3 0.0311 0.7848 0.8837
Echinococcus granulosus aldo keto reductase 0.0275 0.6111 0.6881
Echinococcus multilocularis aldo keto reductase 0.0275 0.6111 0.6881
Trypanosoma cruzi histone deacetylase, putative 0.0231 0.4049 0.5159
Echinococcus multilocularis histone deacetylase 6 0.0231 0.4049 0.4559
Echinococcus granulosus aldehyde reductase 0.0195 0.2325 0.2618
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.7848 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Loa Loa (eye worm) histone deacetylase 0.0231 0.4049 0.4049
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 0.8881 1
Brugia malayi histone deacetylase 1 (HD1) 0.0311 0.7848 0.6385
Schistosoma mansoni aldo-keto reductase 0.0275 0.6111 0.7787
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Echinococcus multilocularis histone deacetylase 7 0.0231 0.4049 0.4559
Plasmodium vivax histone deacetylase, putative 0.0356 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Entamoeba histolytica histone deacetylase, putative 0.0311 0.7848 1
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.7848 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Leishmania major prostaglandin f synthase, putative 0.0275 0.6111 0.5429
Plasmodium vivax histone deacetylase 1, putative 0.0311 0.7848 0.6385
Schistosoma mansoni histone deacetylase 0.0311 0.7848 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.7848 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0275 0.6111 0.3466
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Toxoplasma gondii histone deacetylase HDAC4 0.0356 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Onchocerca volvulus 0.0275 0.6111 1
Onchocerca volvulus 0.0275 0.6111 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Toxoplasma gondii histone deacetylase HDAC1 0.0231 0.4049 0.4049
Toxoplasma gondii histone deacetylase HDAC2 0.0311 0.7848 0.7848
Onchocerca volvulus 0.0275 0.6111 1
Echinococcus multilocularis aldehyde reductase 0.0195 0.2325 0.2618
Schistosoma mansoni histone deacetylase 4 5 0.0231 0.4049 0.5159
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0275 0.6111 0.6881
Echinococcus granulosus histone deacetylase 0.0231 0.4049 0.4559
Loa Loa (eye worm) oxidoreductase 0.0275 0.6111 0.6111
Echinococcus granulosus histone deacetylase 1 0.0311 0.7848 0.8837
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.7848 1
Trypanosoma brucei histone deacetylase 3 0.0231 0.4049 0.5159
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.7848 1
Schistosoma mansoni histone deacetylase 4 5 0.0231 0.4049 0.5159
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.7848 1
Trypanosoma cruzi histone deacetylase, putative 0.0231 0.4049 0.5159
Echinococcus granulosus histone deacetylase 6 0.0231 0.4049 0.4559
Trypanosoma cruzi aldo-keto reductase 0.0275 0.6111 0.7787
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0275 0.6111 0.6881
Trypanosoma brucei histone deacetylase 4 0.0231 0.4049 0.5159
Loa Loa (eye worm) histone deacetylase 1 0.0311 0.7848 0.7848
Echinococcus multilocularis histone deacetylase 0.0231 0.4049 0.4559
Loa Loa (eye worm) hypothetical protein 0.0311 0.7848 0.7848
Trypanosoma brucei histone deacetylase, putative 0.0231 0.4049 0.5159
Loa Loa (eye worm) oxidoreductase 0.0275 0.6111 0.6111
Echinococcus multilocularis aldo keto reductase 0.0275 0.6111 0.6881
Mycobacterium ulcerans oxidoreductase 0.0275 0.6111 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM Inhibition of human HDAC6 using RHKK(Ac) as substrate by fluorimetric analysis ChEMBL. 24345446
IC50 (binding) = 102 nM Inhibition of human HDAC1 using RHKK(Ac) as substrate by fluorimetric analysis ChEMBL. 24345446
IC50 (binding) = 131 nM Inhibition of human HDAC8 using RHK(Ac)K(Ac) as substrate by fluorimetric analysis ChEMBL. 24345446
IC50 (binding) = 227 nM Inhibition of human HDAC10 using RHKK(Ac) as substrate by fluorimetric analysis ChEMBL. 24345446
IC50 (binding) = 262 nM Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis ChEMBL. 24345446
IC50 (binding) = 539 nM Inhibition of human HDAC3/NCOR2 using RHKK(Ac) as substrate by fluorimetric analysis ChEMBL. 24345446
IC50 (binding) = 956 nM Inhibition of human HDAC2 using RHKK(Ac) as substrate by fluorimetric analysis ChEMBL. 24345446

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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