Detailed information for compound 927125

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 991.317 | Formula: C42H54N8O8S6
  • H donors: 4 H acceptors: 8 LogP: 4.55 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1NCc2scc(n2)C2=N[C@](C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSSCC/C=C/[C@@H]1CC(=O)NCc3scc(n3)C3=N[C@@](C(=O)N[C@H](C(=O)O1)C(C)C)(C)CS3)C(C)C)(CS2)C
  • InChi: 1S/C42H54N8O8S6/c1-23(2)33-37(53)57-25(15-29(51)43-17-31-45-27(19-59-31)35-49-41(5,21-61-35)39(55)47-33)11-7-9-13-63-64-14-10-8-12-26-16-30(52)44-18-32-46-28(20-60-32)36-50-42(6,22-62-36)40(56)48-34(24(3)4)38(54)58-26/h7-8,11-12,19-20,23-26,33-34H,9-10,13-18,21-22H2,1-6H3,(H,43,51)(H,44,52)(H,47,55)(H,48,56)/b11-7+,12-8+/t25-,26-,33+,34+,41+,42+/m1/s1
  • InChiKey: VXQMEGLYMWVBHB-UOLLFOIHSA-N  

Network

Hover on a compound node to display the structore

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 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 11 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum histone deacetylase, putative 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
Theileria parva 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
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase 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 falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Entamoeba histolytica 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
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
Toxoplasma gondii histone deacetylase HDAC4 Get druggable targets OG5_129938 All targets in OG5_129938
Plasmodium yoelii histone deacetylase/AcuC/AphA family protein, putative Get druggable targets OG5_129938 All targets in OG5_129938
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 1, 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
Plasmodium yoelii Histone deacetylase family, 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
Plasmodium knowlesi histone deacetylase 2, putative 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 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
Echinococcus granulosus 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
Trypanosoma brucei histone deacetylase 3 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
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative 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
Leishmania braziliensis 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
Leishmania infantum 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
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 1, 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, putative Get druggable targets OG5_129938 All targets in OG5_129938
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
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 mexicana histone deacetylase, putative 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
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
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
Trypanosoma cruzi histone deacetylase, putative 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 mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi 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
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_129938 All targets in OG5_129938
Schistosoma mansoni histone deacetylase 4 5 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
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
Brugia malayi Histone deacetylase family 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
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
Echinococcus multilocularis 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
Loa Loa (eye worm) histone deacetylase 11 Get druggable targets OG5_129938 All targets in OG5_129938
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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 donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein 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
Trypanosoma brucei histone deacetylase 1 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
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 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
Theileria parva hypothetical 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Toxoplasma gondii histone deacetylase HDAC3 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 cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii 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
Echinococcus granulosus histone deacetylase 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase family protein 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
Trypanosoma brucei gambiense histone deacetylase, 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
Loa Loa (eye worm) hypothetical 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
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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
Brugia malayi histone deacetylase 11 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
Echinococcus granulosus histone deacetylase 3 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase 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
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
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
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
Loa Loa (eye worm) histone deacetylase 1 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 braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi 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
Babesia bovis 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
Plasmodium vivax 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
Trypanosoma cruzi histone deacetylase, 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 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
Plasmodium vivax histone deacetylase, putative 0.0334 0.0613 1
Schistosoma mansoni histone deacetylase hda2 0.0217 0.0037 0.0037
Schistosoma mansoni histone deacetylase 0.0289 0.0392 0.0392
Trypanosoma brucei histone deacetylase 1 0.0289 0.0392 1
Echinococcus granulosus para nitrobenzyl esterase 0.038 0.0836 0.0836
Giardia lamblia Histone deacetylase 0.0289 0.0392 0.5
Plasmodium falciparum histone deacetylase 1 0.0289 0.0392 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.038 0.0836 0.5
Loa Loa (eye worm) hypothetical protein 0.038 0.0836 0.0836
Loa Loa (eye worm) hypothetical protein 0.021 0.0004 0.0004
Schistosoma mansoni neuroligin 3 (S09 family) 0.038 0.0836 0.0836
Schistosoma mansoni histone deacetylase 0.0289 0.0392 0.0392
Loa Loa (eye worm) histone deacetylase 11 0.0334 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.2247 1 1
Toxoplasma gondii histone deacetylase HDAC4 0.0334 0.0613 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0289 0.0392 1
Echinococcus granulosus acetylcholinesterase 0.2247 1 1
Onchocerca volvulus 0.038 0.0836 0.5
Loa Loa (eye worm) hypothetical protein 0.038 0.0836 0.0836
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.038 0.0836 0.0836
Toxoplasma gondii histone deacetylase HDAC3 0.0289 0.0392 0.6385
Brugia malayi Carboxylesterase family protein 0.038 0.0836 0.0836
Loa Loa (eye worm) hypothetical protein 0.0289 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.038 0.0836 0.0836
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.038 0.0836 0.0836
Brugia malayi histone deacetylase 1 (HD1) 0.0289 0.0392 0.0392
Brugia malayi Carboxylesterase family protein 0.038 0.0836 0.0836
Echinococcus multilocularis acetylcholinesterase 0.2247 1 1
Brugia malayi hypothetical protein 0.038 0.0836 0.0836
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.038 0.0836 0.5
Loa Loa (eye worm) carboxylesterase 0.038 0.0836 0.0836
Schistosoma mansoni acetylcholinesterase 0.038 0.0836 0.0836
Echinococcus multilocularis histone deacetylase 3 0.0289 0.0392 0.0392
Brugia malayi Carboxylesterase family protein 0.038 0.0836 0.0836
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.038 0.0836 1
Echinococcus granulosus carboxylesterase 5A 0.2247 1 1
Onchocerca volvulus 0.038 0.0836 0.5
Onchocerca volvulus 0.038 0.0836 0.5
Loa Loa (eye worm) hypothetical protein 0.2247 1 1
Brugia malayi histone deacetylase 3 (HD3) 0.0289 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.038 0.0836 0.0836
Leishmania major histone deacetylase, putative 0.0289 0.0392 1
Toxoplasma gondii histone deacetylase HDAC2 0.0289 0.0392 0.6385
Schistosoma mansoni BC026374 protein (S09 family) 0.038 0.0836 0.0836
Echinococcus multilocularis carboxylesterase 5A 0.2247 1 1
Loa Loa (eye worm) hypothetical protein 0.038 0.0836 0.0836
Loa Loa (eye worm) histone deacetylase 1 0.0289 0.0392 0.0392
Trichomonas vaginalis spcc417.12 protein, putative 0.038 0.0836 1
Echinococcus granulosus neuroligin 0.038 0.0836 0.0836
Echinococcus granulosus histone deacetylase 3 0.0289 0.0392 0.0392
Onchocerca volvulus 0.038 0.0836 0.5
Loa Loa (eye worm) carboxylesterase 0.2247 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.038 0.0836 0.5
Loa Loa (eye worm) histone deacetylase 3 0.0289 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.038 0.0836 0.0836
Echinococcus granulosus histone deacetylase 6 0.0217 0.0037 0.0037
Echinococcus multilocularis para nitrobenzyl esterase 0.038 0.0836 0.0836
Echinococcus multilocularis histone deacetylase 6 0.0217 0.0037 0.0037
Leishmania major histone deacetylase, putative 0.0289 0.0392 1
Echinococcus granulosus histone deacetylase 1 0.0289 0.0392 0.0392
Mycobacterium tuberculosis Carboxylesterase LipT 0.038 0.0836 0.5
Echinococcus multilocularis acetylcholinesterase 0.2247 1 1
Echinococcus multilocularis histone deacetylase 1 0.0289 0.0392 0.0392
Brugia malayi Carboxylesterase family protein 0.038 0.0836 0.0836
Plasmodium vivax histone deacetylase 1, putative 0.0289 0.0392 0.6385
Loa Loa (eye worm) carboxylesterase 0.038 0.0836 0.0836
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.038 0.0836 0.0836
Loa Loa (eye worm) hypothetical protein 0.038 0.0836 0.0836
Trypanosoma cruzi histone deacetylase 1, putative 0.0289 0.0392 1
Schistosoma mansoni gliotactin 0.038 0.0836 0.0836
Brugia malayi Carboxylesterase family protein 0.2247 1 1
Echinococcus granulosus acetylcholinesterase 0.2247 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.2247 1 1
Echinococcus multilocularis neuroligin 0.038 0.0836 0.0836
Brugia malayi Histone deacetylase 1 0.0289 0.0392 0.0392
Echinococcus granulosus family S9 non peptidase ue S09 family 0.038 0.0836 0.0836
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2247 1 1
Onchocerca volvulus 0.038 0.0836 0.5
Entamoeba histolytica histone deacetylase, putative 0.0289 0.0392 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.038 0.0836 0.0836
Brugia malayi histone deacetylase 11 0.0334 0.0613 0.0613
Echinococcus multilocularis BC026374 protein (S09 family) 0.038 0.0836 0.0836
Echinococcus granulosus BC026374 protein S09 family 0.038 0.0836 0.0836

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.1 nM Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
IC50 (binding) = 0.2 nM Inhibition of HDAC10 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
IC50 (binding) = 0.3 nM Inhibition of HDAC1 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
IC50 (binding) = 0.3 nM Inhibition of HDAC3 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
IC50 (binding) = 0.5 nM Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
IC50 (binding) = 61 nM Inhibition of HDAC6 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
Inhibition (binding) Inhibition of HDAC in human HCT116 cells assessed as increase in histone H3 (Lys9/14) hyperacetylation after 8 to 24 hrs by immunoblotting method ChEMBL. 25147612
Inhibition (binding) < 20 % Inhibition of HDAC9 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
Inhibition (binding) < 20 % Inhibition of HDAC7 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
Inhibition (binding) < 20 % Inhibition of HDAC5 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
Inhibition (binding) < 20 % Inhibition of HDAC4 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612
Inhibition (binding) = 40 % Inhibition of HDAC8 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay ChEMBL. 25147612

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.