Detailed information for compound 1632173

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 578.742 | Formula: C33H46N4O5
  • H donors: 4 H acceptors: 5 LogP: 4.45 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](NC(=O)[C@@H](NC1=O)Cc1cccc2c1cccc2)CC(C)C
  • InChi: 1S/C33H46N4O5/c1-5-26(38)15-7-6-8-17-28-32(41)37-29(19-24-14-11-13-23-12-9-10-16-27(23)24)33(42)35-25(18-21(2)3)20-30(39)34-22(4)31(40)36-28/h9-14,16,21-22,25,28-29H,5-8,15,17-20H2,1-4H3,(H,34,39)(H,35,42)(H,36,40)(H,37,41)/t22-,25-,28-,29-/m0/s1
  • InChiKey: HFDUFQFVUVYKCX-MQIQBBKZSA-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 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 11 Starlite/ChEMBL References
Homo sapiens histone deacetylase 5 Starlite/ChEMBL References
Homo sapiens histone deacetylase 7 Starlite/ChEMBL References
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 Starlite/ChEMBL References
Homo sapiens histone deacetylase 4 Starlite/ChEMBL References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 3 (HD3) 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 major 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
Echinococcus multilocularis histone deacetylase 1 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
Leishmania major 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
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
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_129938 All targets in OG5_129938
Schistosoma japonicum Histone deacetylase 4, putative 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
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein 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 cruzi histone deacetylase 1, 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
Neospora caninum hypothetical protein Get druggable targets OG5_129938 All targets in OG5_129938
Plasmodium falciparum histone deacetylase 2 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
Leishmania mexicana 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
Toxoplasma gondii histone deacetylase HDAC1 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
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 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
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing 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
Plasmodium yoelii histone deacetylase 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
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase, 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
Toxoplasma gondii histone deacetylase HDAC2 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
Leishmania mexicana 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
Trichomonas vaginalis 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
Trypanosoma congolense histone deacetylase-like 1 protein, 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
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Giardia lamblia Histone deacetylase 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
Echinococcus granulosus histone deacetylase 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 vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC4 Get druggable targets OG5_129938 All targets in OG5_129938
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
Trypanosoma brucei gambiense histone deacetylase, putative 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
Leishmania braziliensis 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
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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase/AcuC/AphA family protein, putative Get druggable targets OG5_129938 All targets in OG5_129938
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
Plasmodium knowlesi histone deacetylase 2, 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
Echinococcus granulosus histone deacetylase 3 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
Trypanosoma cruzi histone deacetylase, putative 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
Plasmodium yoelii hypothetical protein 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
Leishmania donovani 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
Schistosoma mansoni histone deacetylase 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
Echinococcus multilocularis 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
Loa Loa (eye worm) 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 1 (HD1) 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 Histone deacetylase family, 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
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129938 All targets in OG5_129938
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
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
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
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
Neospora caninum 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 congolense histone deacetylase 4 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 mansoni histone deacetylase 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 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_129938 All targets in OG5_129938
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
Leishmania donovani 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
Schistosoma japonicum Histone deacetylase 10, 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
Leishmania donovani 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
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
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
Leishmania mexicana 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
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Echinococcus granulosus histone deacetylase 6 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
Loa Loa (eye worm) 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 cruzi histone deacetylase 1, 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
Loa Loa (eye worm) hypothetical protein 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 mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 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

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 %
Brugia malayi Histone deacetylase family protein histone deacetylase 11 296 aa 290 aa 24.5 %
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
Echinococcus multilocularis histone deacetylase 0.0452 0.9702 0.9414
Echinococcus granulosus histone deacetylase 6 0.0452 0.9702 0.9414
Schistosoma mansoni histone deacetylase hda2 0.046 1 1
Plasmodium falciparum histone deacetylase 2 0.0452 0.9702 1
Loa Loa (eye worm) histone deacetylase 3 0.0362 0.609 0.6277
Echinococcus multilocularis histone deacetylase 7 0.0452 0.9702 0.9414
Echinococcus multilocularis histone deacetylase 6 0.0452 0.9702 0.9414
Trichomonas vaginalis histone deacetylase, putative 0.0362 0.609 0.5
Loa Loa (eye worm) histone deacetylase 0.0452 0.9702 1
Entamoeba histolytica histone deacetylase, putative 0.0362 0.609 0.5
Toxoplasma gondii histone deacetylase HDAC1 0.0452 0.9702 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.609 0.6277
Schistosoma mansoni histone deacetylase 4 5 0.0452 0.9702 0.9237
Echinococcus multilocularis histone deacetylase 1 0.0362 0.609 0.2318
Echinococcus granulosus histone deacetylase 0.0452 0.9702 0.9414
Onchocerca volvulus Glutaminyl cyclase homolog 0.0384 0.6942 0.5
Trypanosoma brucei histone deacetylase 4 0.0452 0.9702 1
Brugia malayi Peptidase family M28 containing protein 0.0384 0.6942 0.236
Echinococcus multilocularis histone deacetylase 3 0.0362 0.609 0.2318
Trichomonas vaginalis histone deacetylase, putative 0.0362 0.609 0.5
Echinococcus multilocularis histone deacetylase 6 0.0452 0.9702 0.9414
Trypanosoma cruzi histone deacetylase, putative 0.0452 0.9702 1
Echinococcus multilocularis histone deacetylase 6 0.046 1 1
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0384 0.6942 0.218
Toxoplasma gondii histone deacetylase HDAC4 0.0407 0.7898 0.5006
Loa Loa (eye worm) hypothetical protein 0.0263 0.2102 0.2167
Loa Loa (eye worm) hypothetical protein 0.0255 0.1804 0.1859
Leishmania major histone deacetylase, putative 0.0452 0.9702 1
Giardia lamblia Histone deacetylase 0.0362 0.609 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0452 0.9702 1
Plasmodium vivax histone deacetylase 2, putative 0.0452 0.9702 1
Echinococcus granulosus histone deacetylase 1 0.0362 0.609 0.2318
Trypanosoma cruzi histone deacetylase, putative 0.0452 0.9702 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0384 0.6942 0.3993
Trichomonas vaginalis histone deacetylase, putative 0.0362 0.609 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0452 0.9702 0.9237
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0384 0.6942 0.3993
Loa Loa (eye worm) histone deacetylase 1 0.0362 0.609 0.6277
Leishmania major histone deacetylase, putative 0.0452 0.9702 1
Trichomonas vaginalis histone deacetylase, putative 0.0362 0.609 0.5
Loa Loa (eye worm) histone deacetylase 11 0.0407 0.7898 0.8141
Echinococcus granulosus histone deacetylase 3 0.0362 0.609 0.2318
Brugia malayi Histone deacetylase family protein 0.0452 0.9702 1
Echinococcus granulosus histone deacetylase 6 0.0452 0.9702 0.9414
Trichomonas vaginalis histone deacetylase, putative 0.0362 0.609 0.5
Trypanosoma brucei histone deacetylase, putative 0.0452 0.9702 1
Echinococcus granulosus histone deacetylase 7 0.0452 0.9702 0.9414
Trypanosoma brucei histone deacetylase 3 0.0452 0.9702 1
Trichomonas vaginalis histone deacetylase, putative 0.0362 0.609 0.5
Plasmodium vivax histone deacetylase, putative 0.0452 0.9702 1
Brugia malayi histone deacetylase 11 0.0407 0.7898 0.5006
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0362 0.609 0.5
Brugia malayi Histone deacetylase family protein 0.0452 0.9702 1
Plasmodium falciparum histone deacetylase, putative 0.0452 0.9702 1
Loa Loa (eye worm) histone deacetylase 7A 0.0452 0.9702 1
Plasmodium vivax histone deacetylase, putative 0.0407 0.7898 0.5006
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0362 0.609 0.5
Loa Loa (eye worm) hypothetical protein 0.0384 0.6942 0.7156
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0362 0.609 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Increase of HDAC7-meidated histone H3 acetylation in human CFBE41o cells at 0.1 to 10 uM by Western blot analysis ChEMBL. 21984958
IC50 (binding) Inhibition of HDAC8 in human HeLa cells nuclear extract using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 8 nM Inhibition of HDAC1 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 32 nM Inhibition of HDAC3-NCoR2 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 120 nM Inhibition of recombinant human HDAC1 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 150 nM Inhibition of recombinant human HDAC10 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 180 nM Inhibition of recombinant human HDAC3-NCoR2 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 290 nM Inhibition of recombinant human HDAC2 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 300 nM Inhibition of recombinant human HDAC11 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10000 nM Inhibition of recombinant human HDAC4 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10000 nM Inhibition of recombinant human HDAC5 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10000 nM Inhibition of recombinant human HDAC6 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10000 nM Inhibition of recombinant human HDAC7 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10000 nM Inhibition of recombinant human HDAC8 using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10000 nM Inhibition of recombinant human HDAC9 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10 uM Inhibition of HDAC6 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958

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.

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