Detailed information for compound 1773391

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.53 | Formula: C25H30N4O4
  • H donors: 3 H acceptors: 4 LogP: 3.07 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCCC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
  • InChi: 1S/C25H30N4O4/c1-29-20-15-11-10-14-19(20)23(18-12-6-5-7-13-18)27-24(25(29)32)26-21(30)16-8-3-2-4-9-17-22(31)28-33/h5-7,10-15,24,33H,2-4,8-9,16-17H2,1H3,(H,26,30)(H,28,31)
  • InChiKey: QNDUGSJDIKUKHC-UHFFFAOYSA-N  


Substructure search Similarity search

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 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) histone deacetylase 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Schistosoma japonicum 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
Neospora caninum 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
Echinococcus granulosus histone deacetylase 7 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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 major 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
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
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 cruzi histone deacetylase, 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
Brugia malayi Histone deacetylase 1 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 mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei 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
Trichomonas vaginalis 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
Leishmania donovani histone deacetylase, putative 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
Leishmania infantum histone deacetylase, 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
Loa Loa (eye worm) 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
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
Echinococcus multilocularis histone deacetylase 6 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 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
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
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Schistosoma mansoni histone deacetylase 4 5 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
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
Loa Loa (eye worm) histone deacetylase 7A 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
Leishmania braziliensis histone deacetylase, 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
Theileria parva 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
Plasmodium vivax histone deacetylase 2, 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
Trichomonas vaginalis histone deacetylase, 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
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
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
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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing 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
Echinococcus multilocularis histone deacetylase 6 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
Trichomonas vaginalis 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
Plasmodium yoelii Histone deacetylase family, 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
Giardia lamblia 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 mansoni histone deacetylase 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_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
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
Plasmodium berghei 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 hominis histone deacetylase 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
Leishmania infantum histone deacetylase, 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
Trichomonas vaginalis 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
Trypanosoma brucei 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
Echinococcus granulosus histone deacetylase 6 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 granulosus histone deacetylase 6 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 Histone deacetylase 10, 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
Leishmania mexicana 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
Babesia bovis histone deacetylase 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
Schistosoma mansoni histone deacetylase 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
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
Brugia malayi histone deacetylase 1 (HD1) 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
Toxoplasma gondii histone deacetylase HDAC2 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 falciparum histone deacetylase, putative 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
Brugia malayi Histone deacetylase family 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
Toxoplasma gondii histone deacetylase HDAC3 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 japonicum Histone deacetylase 4, 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Schistosoma japonicum Histone deacetylase 10, putative 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
Trypanosoma congolense histone deacetylase 4 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
Cryptosporidium hominis 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 donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein 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
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 %
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
Loa Loa (eye worm) histone deacetylase 7A 0.026 0.0623 0.0623
Echinococcus granulosus histone deacetylase 6 0.026 0.0623 0.0467
Leishmania major histone deacetylase, putative 0.0289 0.0768 0.2198
Schistosoma mansoni histone deacetylase 0.0289 0.0768 0.0613
Toxoplasma gondii histone deacetylase HDAC2 0.0289 0.0768 0.2198
Trichomonas vaginalis histone deacetylase, putative 0.0289 0.0768 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0716 0.2909 1
Leishmania major histone deacetylase, putative 0.0289 0.0768 0.2198
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.213 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0289 0.0768 0.0768
Loa Loa (eye worm) hypothetical protein 0.0289 0.0768 0.0768
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0716 0.2909 0.2791
Trypanosoma cruzi histone deacetylase, putative 0.026 0.0623 0.1672
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0335 0.0999 0.0848
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0169 0.0164 0.5
Echinococcus granulosus histone deacetylase 6 0.026 0.0623 0.0467
Echinococcus multilocularis inhibitor of apoptosis protein 0.0335 0.0999 0.0848
Brugia malayi Histone deacetylase 1 0.0289 0.0768 0.0613
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0716 0.2909 1
Echinococcus multilocularis histone deacetylase 6 0.026 0.0623 0.0467
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0169 0.0164 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0289 0.0768 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.213 1 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.0164 0.0164
Trypanosoma brucei histone deacetylase 4 0.026 0.0623 0.1672
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0335 0.0999 0.0848
Brugia malayi Histone deacetylase family protein 0.026 0.0623 0.0467
Loa Loa (eye worm) hypothetical protein 0.0144 0.0037 0.0037
Echinococcus granulosus histone deacetylase 3 0.0289 0.0768 0.0613
Plasmodium vivax histone deacetylase 2, putative 0.026 0.0623 0.7607
Giardia lamblia Histone deacetylase 0.0289 0.0768 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0289 0.0768 0.2198
Plasmodium falciparum histone deacetylase, putative 0.026 0.0623 0.7607
Schistosoma mansoni hypothetical protein 0.0335 0.0999 0.0848
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0716 0.2909 0.2791
Plasmodium falciparum histone deacetylase 2 0.026 0.0623 0.7607
Entamoeba histolytica histone deacetylase, putative 0.0289 0.0768 1
Echinococcus multilocularis histone deacetylase 0.026 0.0623 0.0467
Echinococcus multilocularis histone deacetylase 7 0.026 0.0623 0.0467
Loa Loa (eye worm) prolyl oligopeptidase 0.213 1 1
Brugia malayi hypothetical protein 0.0547 0.2063 0.193
Onchocerca volvulus 0.0335 0.0999 0.0848
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0335 0.0999 0.0848
Leishmania major histone deacetylase, putative 0.026 0.0623 0.1672
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289 0.0768 1
Trypanosoma brucei histone deacetylase 1 0.0289 0.0768 0.2198
Plasmodium vivax histone deacetylase 1, putative 0.0289 0.0768 1
Echinococcus granulosus histone deacetylase 6 0.0268 0.0661 0.0505
Echinococcus granulosus histone deacetylase 7 0.026 0.0623 0.0467
Loa Loa (eye worm) hypothetical protein 0.0169 0.0164 0.0164
Leishmania major histone deacetylase, putative 0.026 0.0623 0.1672
Brugia malayi prolyl oligopeptidase family protein 0.0716 0.2909 0.2791
Brugia malayi histone deacetylase 1 (HD1) 0.0289 0.0768 0.0613
Loa Loa (eye worm) hypothetical protein 0.0169 0.0164 0.0164
Toxoplasma gondii histone deacetylase HDAC3 0.0289 0.0768 0.2198
Schistosoma mansoni histone deacetylase 4 5 0.026 0.0623 0.0467
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0335 0.0999 0.0848
Trypanosoma cruzi histone deacetylase, putative 0.026 0.0623 0.1672
Echinococcus multilocularis histone deacetylase 3 0.0289 0.0768 0.0613
Echinococcus granulosus histone deacetylase 0.026 0.0623 0.0467
Echinococcus granulosus histone deacetylase 1 0.0289 0.0768 0.0613
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0716 0.2909 1
Onchocerca volvulus Deterin homolog 0.0335 0.0999 0.0848
Mycobacterium tuberculosis Probable peptidase 0.0169 0.0164 0.5
Plasmodium falciparum histone deacetylase 1 0.0289 0.0768 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289 0.0768 1
Echinococcus multilocularis histone deacetylase 1 0.0289 0.0768 0.0613
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0716 0.2909 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0169 0.0164 0.5
Loa Loa (eye worm) histone deacetylase 3 0.0289 0.0768 0.0768
Trypanosoma cruzi histone deacetylase 1, putative 0.0289 0.0768 0.2198
Schistosoma mansoni histone deacetylase hda2 0.0268 0.0661 0.0505
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.213 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289 0.0768 1
Trichomonas vaginalis histone deacetylase, putative 0.0289 0.0768 1
Loa Loa (eye worm) histone deacetylase 0.026 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0335 0.0999 0.0999
Brugia malayi Histone deacetylase family protein 0.026 0.0623 0.0467
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0716 0.2909 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0716 0.2909 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0716 0.2909 0.2791
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0366 0.1154 0.1006
Toxoplasma gondii histone deacetylase HDAC1 0.026 0.0623 0.1672
Brugia malayi histone deacetylase 3 (HD3) 0.0289 0.0768 0.0613
Trypanosoma cruzi histone deacetylase, putative 0.026 0.0623 0.1672
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.213 1 1
Schistosoma mansoni histone deacetylase 4 5 0.026 0.0623 0.0467
Trichomonas vaginalis histone deacetylase, putative 0.0289 0.0768 1
Trichomonas vaginalis histone deacetylase, putative 0.0289 0.0768 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0169 0.0164 0.0164
Echinococcus multilocularis histone deacetylase 6 0.0268 0.0661 0.0505
Plasmodium vivax histone deacetylase, putative 0.026 0.0623 0.7607
Trypanosoma brucei histone deacetylase, putative 0.026 0.0623 0.1672
Echinococcus multilocularis histone deacetylase 6 0.026 0.0623 0.0467
Echinococcus granulosus inhibitor of apoptosis protein 0.0335 0.0999 0.0848
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0335 0.0999 0.0848
Schistosoma mansoni histone deacetylase 0.0289 0.0768 0.0613
Schistosoma mansoni inhibitor of apoptosis protein 0.0335 0.0999 0.0848
Loa Loa (eye worm) hypothetical protein 0.0547 0.2063 0.2063
Trypanosoma brucei histone deacetylase 3 0.026 0.0623 0.1672
Trichomonas vaginalis histone deacetylase, putative 0.0289 0.0768 1
Loa Loa (eye worm) hypothetical protein 0.0335 0.0999 0.0999

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.48 uM Inhibition of full length His-tagged human recombinant HDAC1 expressed in baculovirus system using fluor de Lys as substrate by fluorometric analysis ChEMBL. 23792316
IC50 (binding) = 0.6 uM Inhibition of HDAC in human HeLa cell extract using fluor de Lys as substrate after 15 mins by fluorometric analysis ChEMBL. 23792316
IC50 (functional) = 7.95 uM Antiproliferative activity against human A549 cells after 72 hrs by CellTiter-Glo assay ChEMBL. 23792316
IC50 (binding) = 9.08 uM Inhibition of full length His-tagged human recombinant HDAC6 expressed in baculovirus system using fluor de Lys as substrate by fluorometric analysis ChEMBL. 23792316
Inhibition (binding) = 57 % Inhibition of HDAC in human HeLa cell extract using fluor de Lys as substrate at 1 uM after 15 mins by fluorometric analysis ChEMBL. 23792316

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23792316

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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