Detailed information for compound 975992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.467 | Formula: C22H17N5O3S
  • H donors: 4 H acceptors: 5 LogP: 3.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)Nc1ncc(s1)c1cccnc1
  • InChi: 1S/C22H17N5O3S/c28-20(14-6-8-15(9-7-14)21(29)27-30)25-17-4-1-5-18(11-17)26-22-24-13-19(31-22)16-3-2-10-23-12-16/h1-13,30H,(H,24,26)(H,25,28)(H,27,29)
  • InChiKey: CJXZQDNBKDLDLD-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 10 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 References
Homo sapiens ABL proto-oncogene 1, non-receptor tyrosine kinase Starlite/ChEMBL References
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Tyrosine-protein kinase abl-1 Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131234 All targets in OG5_131234
Leishmania major 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
Trypanosoma brucei gambiense 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
Toxoplasma gondii histone deacetylase HDAC2 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
Theileria parva hypothetical protein 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
Neospora caninum 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
Schistosoma japonicum Histone deacetylase 10, 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
Plasmodium berghei histone deacetylase 1, 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
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
Plasmodium falciparum histone deacetylase, 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
Echinococcus granulosus histone deacetylase 7 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
Leishmania mexicana 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
Echinococcus multilocularis histone deacetylase 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 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
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
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
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
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
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Trypanosoma brucei histone deacetylase 1 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
Loa Loa (eye worm) 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
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
Toxoplasma gondii histone deacetylase HDAC3 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis tyrosine protein kinase Abl Get druggable targets OG5_131234 All targets in OG5_131234
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii Histone deacetylase family, 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
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Plasmodium vivax 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
Trichomonas vaginalis 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
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 7 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
Loa Loa (eye worm) histone deacetylase 3 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
Echinococcus granulosus 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
Trypanosoma brucei histone deacetylase 3 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 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) TK/ABL protein kinase Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131234 All targets in OG5_131234
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 ko:K06067 histone deacetylase 1/2, 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
Plasmodium berghei 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
Brugia malayi histone deacetylase 3 (HD3) 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 major 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
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
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
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum 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 hypothetical protein 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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing 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
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
Toxoplasma gondii histone deacetylase HDAC1 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
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
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase ABL1, putative Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus histone deacetylase 6 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 Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Theileria parva 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
Cryptosporidium hominis histone deacetylase 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
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis hypothetical protein 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 congolense histone deacetylase 4 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
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma 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 cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax histone deacetylase, putative 0.0333 0.9695 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.2043 0.2053
Echinococcus granulosus geminin 0.0169 0.2975 0.1936
Schistosoma mansoni histone deacetylase hda2 0.0146 0.2043 0.0866
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8785 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.9695 0.968
Echinococcus multilocularis histone h3 methyltransferase 0.0128 0.1289 0.1025
Loa Loa (eye worm) TK/ABL protein kinase 0.0254 0.6442 0.6475
Echinococcus granulosus histone deacetylase 6 0.0333 0.9695 0.965
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0128 0.1289 0.1031
Echinococcus multilocularis histone deacetylase 0.0333 0.9695 0.9686
Plasmodium falciparum histone deacetylase 2 0.0333 0.9695 1
Brugia malayi histone deacetylase 1 (HD1) 0.0311 0.8785 0.8796
Entamoeba histolytica histone deacetylase, putative 0.0311 0.8785 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8785 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.8785 0.5
Echinococcus granulosus histone deacetylase 6 0.0333 0.9695 0.965
Echinococcus multilocularis histone deacetylase 6 0.0333 0.9695 0.9686
Echinococcus multilocularis histone deacetylase 6 0.0341 1 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0254 0.6442 0.6334
Echinococcus granulosus tyrosine protein kinase ABL1 0.0254 0.6442 0.5916
Loa Loa (eye worm) histone deacetylase 3 0.0311 0.8785 0.8831
Brugia malayi Tyrosine-protein kinase abl-1 0.0154 0.2356 0.2136
Brugia malayi Histone deacetylase 1 0.0311 0.8785 0.8796
Plasmodium vivax histone deacetylase 2, putative 0.0333 0.9695 1
Brugia malayi Histone deacetylase family protein 0.0333 0.9695 0.9738
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8785 0.5
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0339 0.9948 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.8785 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.2975 0.1936
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.9695 0.968
Leishmania major S-adenosylmethionine decarboxylase 0.0339 0.9948 1
Echinococcus multilocularis histone deacetylase 1 0.0311 0.8785 0.8749
Toxoplasma gondii histone deacetylase HDAC3 0.0311 0.8785 0.8811
Echinococcus granulosus histone deacetylase 8 0.0146 0.2043 0.0866
Echinococcus multilocularis histone deacetylase 7 0.0333 0.9695 0.9686
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.9695 0.965
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0339 0.9948 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.8785 0.8831
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0339 0.9948 1
Toxoplasma gondii histone deacetylase HDAC2 0.0311 0.8785 0.8811
Leishmania major histone deacetylase, putative 0.0333 0.9695 0.7824
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0165 0.2826 0.1023
Trypanosoma brucei histone deacetylase 3 0.0333 0.9695 0.968
Toxoplasma gondii histone deacetylase HDAC1 0.0333 0.9695 1
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0339 0.9948 0.9947
Brugia malayi histone deacetylase 3 (HD3) 0.0311 0.8785 0.8796
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0339 0.9948 1
Schistosoma mansoni hypothetical protein 0.0169 0.2975 0.1936
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.9695 0.968
Schistosoma mansoni histone deacetylase 0.0311 0.8785 0.8606
Echinococcus granulosus histone deacetylase 0.0333 0.9695 0.965
Trypanosoma brucei histone deacetylase, putative 0.0333 0.9695 0.968
Loa Loa (eye worm) hypothetical protein 0.0195 0.402 0.4041
Schistosoma mansoni histone deacetylase 1 2 3 0.0146 0.2043 0.0866
Brugia malayi histone deacetylase 11 0.0146 0.2043 0.1812
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0339 0.9948 0.9941
Echinococcus multilocularis geminin 0.0169 0.2975 0.2762
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8785 0.5
Echinococcus granulosus histone deacetylase 3 0.0311 0.8785 0.8606
Echinococcus granulosus histone deacetylase 7 0.0333 0.9695 0.965
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.8785 0.5
Echinococcus multilocularis histone deacetylase 6 0.0333 0.9695 0.9686
Brugia malayi Histone deacetylase family protein 0.0333 0.9695 0.9738
Loa Loa (eye worm) histone deacetylase 1 0.0311 0.8785 0.8831
Plasmodium falciparum histone deacetylase, putative 0.0333 0.9695 1
Trypanosoma brucei histone deacetylase 1 0.0311 0.8785 0.8529
Onchocerca volvulus Histone deacetylase 10 homolog 0.0146 0.2043 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8785 0.5
Giardia lamblia Histone deacetylase 0.0311 0.8785 0.5
Loa Loa (eye worm) histone deacetylase 0.0333 0.9695 0.9746
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0339 0.9948 1
Loa Loa (eye worm) histone deacetylase 11 0.0146 0.2043 0.2053
Echinococcus granulosus histone deacetylase 1 0.0311 0.8785 0.8606
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0339 0.9948 1
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0339 0.9948 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.3715 0.3734
Echinococcus multilocularis histone deacetylase 3 0.0311 0.8785 0.8749
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.8785 0.8529
Loa Loa (eye worm) histone deacetylase 7A 0.0333 0.9695 0.9746
Schistosoma mansoni tyrosine kinase 0.025 0.6293 0.5745
Echinococcus multilocularis histone deacetylase 8 0.0146 0.2043 0.1802
Plasmodium vivax histone deacetylase 1, putative 0.0311 0.8785 0.8811
Loa Loa (eye worm) hypothetical protein 0.0128 0.1289 0.1295
Schistosoma mansoni histone deacetylase hda2 0.0341 1 1
Plasmodium falciparum histone deacetylase 1 0.0311 0.8785 0.8676
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8785 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.9695 0.965
Schistosoma mansoni histone deacetylase 0.0311 0.8785 0.8606
Trypanosoma brucei histone deacetylase 4 0.0333 0.9695 0.968
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.8785 0.8529
Leishmania major histone deacetylase, putative 0.0333 0.9695 0.7824

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 7.8 uM Inhibition of HDAC in human HeLa cells assessed as induction of cellular histone H3 hyperacetylation ChEMBL. 19301902
IC50 (binding) = 0.091 uM Inhibition of human recombinant HDAC6 expressed in HEK293 cells ChEMBL. 19301902
IC50 (binding) = 0.21 uM Inhibition of human recombinant HDAC1 expressed in HEK293 cells ChEMBL. 19301902
IC50 (functional) = 4.45 uM Cytotoxicity against human K562 cells after 72 hrs by alamar-blue cell viability assay ChEMBL. 19301902
IC50 (binding) = 17 uM Inhibition of wild-type c-Abl by liquid scintillation counting ChEMBL. 19301902
IC50 (functional) = 20.3 uM Cytotoxicity against human HeLa cells after 72 hrs by alamar-blue cell viability assay ChEMBL. 19301902
IC50 (binding) = 40 uM Inhibition of PDGFRbeta by liquid scintillation counting ChEMBL. 19301902
IC50 (binding) = 43 uM Inhibition of VEGFR2 by liquid scintillation counting ChEMBL. 19301902

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19301902

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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