Detailed information for compound 1183977

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 379.409 | Formula: C21H21N3O4
  • H donors: 3 H acceptors: 4 LogP: 2.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)c1noc(c1)CCCCC(=O)Nc1ccc(cc1)c1ccccc1
  • InChi: 1S/C21H21N3O4/c25-20(9-5-4-8-18-14-19(24-28-18)21(26)23-27)22-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14,27H,4-5,8-9H2,(H,22,25)(H,23,26)
  • InChiKey: MVJMUSDIJCENPI-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 3 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 Starlite/ChEMBL 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
Plasmodium yoelii histone deacetylase 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
Giardia lamblia Histone deacetylase 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 brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis 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
Theileria parva hypothetical protein 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
Schistosoma japonicum Histone deacetylase 6, 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
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
Trypanosoma brucei histone deacetylase 1 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
Brugia malayi Histone deacetylase family protein 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
Leishmania donovani 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
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Theileria parva histone deacetylase, 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
Leishmania mexicana 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
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 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
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
Neospora caninum 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
Trypanosoma cruzi histone deacetylase, putative 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
Plasmodium berghei histone deacetylase 2, 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 falciparum histone deacetylase 1 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
Schistosoma mansoni histone deacetylase 4 5 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
Toxoplasma gondii histone deacetylase HDAC1 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
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_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 1, putative 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 major 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
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
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 1 (HD1) 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
Loa Loa (eye worm) histone deacetylase 1 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
Trypanosoma cruzi 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 hypothetical protein 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
Echinococcus multilocularis histone deacetylase 6 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Leishmania braziliensis 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
Schistosoma japonicum Histone deacetylase 4, 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major 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
Schistosoma mansoni histone deacetylase 4 5 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
Trichomonas vaginalis 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
Loa Loa (eye worm) histone deacetylase 3 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, 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein 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 granulosus histone deacetylase 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
Trichomonas vaginalis histone deacetylase, 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
Leishmania mexicana 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
Toxoplasma gondii histone deacetylase HDAC3 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 parvum histone deacetylase HDA2/Rpd3p 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 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
Trypanosoma brucei gambiense 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
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
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 japonicum ko:K06067 histone deacetylase 1/2, putative 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
Leishmania donovani 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
Leishmania braziliensis 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 mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase 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
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
Echinococcus granulosus histone deacetylase 6 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
Trypanosoma congolense histone deacetylase-like 1 protein, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase 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
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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
Trypanosoma congolense histone deacetylase 4 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
Schistosoma mansoni histone deacetylase 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
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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.0739 0.2933
Schistosoma mansoni histone deacetylase 1 2 3 0.008 0.0353 0.04
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0029 0.0076 0.0076
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0056 0.0263
Echinococcus granulosus dnaJ subfamily B 0.1655 0.8824 0.8824
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0422 0.1675
Loa Loa (eye worm) hypothetical protein 0.0027 0.0065 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Trichomonas vaginalis histone deacetylase, putative 0.0245 0.124 1
Onchocerca volvulus 0.0027 0.0065 0.1105
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0075 0.0325 0.2473
Onchocerca volvulus Histone deacetylase 10 homolog 0.008 0.0353 0.5972
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0118 0.0773
Loa Loa (eye worm) hypothetical protein 0.0034 0.0104 0.0412
Echinococcus granulosus mucolipin 3 0.0066 0.0278 0.0278
Leishmania major histone deacetylase, putative 0.0114 0.0536 0.4213
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0118 0.0773
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0098 0.0111
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0075
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0024 0.5
Leishmania major histone deacetylase, putative 0.0245 0.124 1
Brugia malayi hypothetical protein 0.0016 0.0008 0.0032
Trichomonas vaginalis histone deacetylase, putative 0.0245 0.124 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0036 0.0114 0.0114
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.0508 0.0508
Trypanosoma cruzi histone deacetylase 1, putative 0.0245 0.124 1
Echinococcus multilocularis inositol monophosphatase 1 0.0075 0.0325 0.0325
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0118 0.0773
Echinococcus granulosus smad 0.0033 0.0098 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.0739 0.2933
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.018 0.0713
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0029 0.0076 0.0076
Echinococcus multilocularis lamin dm0 0.0027 0.0065 0.0065
Schistosoma mansoni mucolipin 0.0066 0.0278 0.0315
Loa Loa (eye worm) hypothetical protein 0.0041 0.0144 0.0571
Schistosoma mansoni hypothetical protein 0.0109 0.0508 0.0576
Toxoplasma gondii histone deacetylase HDAC2 0.0245 0.124 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0075 0.0325 0.2473
Leishmania major histone deacetylase, putative 0.0114 0.0536 0.4213
Brugia malayi hypothetical protein 0.0025 0.0056 0.0222
Echinococcus granulosus lamin 0.0027 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0125 0.0592 0.2349
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0118 0.0773
Trypanosoma cruzi histone deacetylase, putative 0.0114 0.0536 0.4213
Loa Loa (eye worm) histone deacetylase 0.0114 0.0536 0.2129
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0056 0.0263
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0011 0.0012
Schistosoma mansoni alpha glucosidase 0.0037 0.0118 0.0134
Echinococcus multilocularis histone deacetylase 7 0.0114 0.0536 0.0536
Trichomonas vaginalis histone deacetylase, putative 0.0245 0.124 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0118 0.0773
Trypanosoma cruzi histone deacetylase, putative 0.008 0.0353 0.2709
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.0063 0.0317
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0056 0.0263
Echinococcus multilocularis cpg binding protein 0.0123 0.0582 0.0582
Schistosoma mansoni histone deacetylase 0.0245 0.124 0.1405
Schistosoma mansoni histone deacetylase 0.0245 0.124 0.1405
Plasmodium falciparum histone deacetylase 2 0.0114 0.0536 0.4213
Echinococcus granulosus histone deacetylase 6 0.0122 0.0576 0.0576
Echinococcus multilocularis Smad4 0.0033 0.0098 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0422 0.0478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0422 0.0478
Schistosoma mansoni hypothetical protein 0.0344 0.1773 0.201
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.0809 0.0809
Echinococcus multilocularis lamin 0.0027 0.0065 0.0065
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0026 0.0063 0.0317
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0065 0.0259
Echinococcus multilocularis musashi 0.0027 0.0065 0.0065
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0118 0.0118
Trypanosoma cruzi histone deacetylase 1, putative 0.0245 0.124 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.0592 0.2349
Trypanosoma brucei histone deacetylase 2 0.008 0.0353 0.2709
Brugia malayi Histone deacetylase family protein 0.0114 0.0536 0.2129
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.018 0.0713
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0067 0.0282 1
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Loa Loa (eye worm) nuclear factor I 0.0018 0.0019 0.0075
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.0063 0.0317
Brugia malayi intermediate filament protein 0.0027 0.0065 0.0259
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0325 0.2473
Brugia malayi MH2 domain containing protein 0.0033 0.0098 0.0389
Trichomonas vaginalis helicase, putative 0.0026 0.0063 0.0317
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Echinococcus granulosus microtubule associated protein 2 0.0703 0.3704 0.3704
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0098 0.0389
Echinococcus granulosus histone deacetylase 3 0.0245 0.124 0.124
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0422 0.0422
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0075 0.0325 1
Toxoplasma gondii histone deacetylase HDAC1 0.0114 0.0536 0.4213
Brugia malayi MH1 domain containing protein 0.0018 0.0019 0.0075
Trypanosoma brucei histone deacetylase 1 0.0245 0.124 1
Brugia malayi histone deacetylase 3 (HD3) 0.0245 0.124 0.4922
Giardia lamblia Histone deacetylase 0.0245 0.124 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0024 0.0024
Echinococcus granulosus histone deacetylase 6 0.0114 0.0536 0.0536
Echinococcus multilocularis GPCR, family 2 0.0048 0.018 0.018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.0739 0.2933
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.018 0.018
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0056 0.0263
Echinococcus granulosus lamin dm0 0.0027 0.0065 0.0065
Schistosoma mansoni lamin 0.0027 0.0065 0.0074
Onchocerca volvulus Huntingtin homolog 0.0125 0.0592 1
Entamoeba histolytica hypothetical protein 0.0109 0.0508 0.3979
Echinococcus granulosus histone deacetylase 7 0.0114 0.0536 0.0536
Schistosoma mansoni microtubule-associated protein tau 0.0703 0.3704 0.4197
Schistosoma mansoni lamin 0.0027 0.0065 0.0074
Trichomonas vaginalis histone deacetylase, putative 0.0245 0.124 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0098 0.0389
Schistosoma mansoni cpg binding protein 0.0116 0.0546 0.0619
Schistosoma mansoni hypothetical protein 0.0048 0.018 0.0204
Brugia malayi Histone deacetylase 1 0.0245 0.124 0.4922
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0245 0.124 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0116 0.0546 0.2167
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0118 0.0773
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0118 0.0468
Loa Loa (eye worm) transcription factor SMAD2 0.0483 0.252 1
Schistosoma mansoni inositol monophosphatase 0.0075 0.0325 0.0368
Onchocerca volvulus 0.0116 0.0546 0.9227
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0027
Echinococcus granulosus histone deacetylase 1 0.0245 0.124 0.124
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0065 0.0259
Loa Loa (eye worm) hypothetical protein 0.0152 0.0739 0.2933
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0098 0.0098
Schistosoma mansoni histone deacetylase 4 5 0.0114 0.0536 0.0608
Echinococcus granulosus GPCR family 2 0.0048 0.018 0.018
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0027
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0713
Plasmodium vivax histone deacetylase, putative 0.0114 0.0536 0.4213
Onchocerca volvulus Huntingtin homolog 0.0125 0.0592 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.0063 0.0317
Echinococcus multilocularis histone deacetylase 6 0.0114 0.0536 0.0536
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0118 0.0773
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0056 0.0263
Echinococcus granulosus histone deacetylase 0.0114 0.0536 0.0536
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0024 0.0095
Loa Loa (eye worm) hypothetical protein 0.0245 0.124 0.4922
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.0063 0.0317
Trypanosoma brucei histone deacetylase 3 0.0114 0.0536 0.4213
Echinococcus granulosus cpg binding protein 0.0123 0.0582 0.0582
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0075 0.0325 0.2473
Echinococcus multilocularis smad 0.0033 0.0098 0.0098
Schistosoma mansoni histone deacetylase hda2 0.008 0.0353 0.04
Echinococcus multilocularis geminin 0.0344 0.1773 0.1773
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Schistosoma mansoni smad1 5 8 and 0.0033 0.0098 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.048 0.1905
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.0809 0.0809
Loa Loa (eye worm) inositol-1 0.0075 0.0325 0.1289
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0118 0.0773
Trypanosoma brucei histone deacetylase, putative 0.0114 0.0536 0.4213
Schistosoma mansoni hypothetical protein 0.1655 0.8824 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0422 0.0422
Loa Loa (eye worm) hypothetical protein 0.008 0.0353 0.1403
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.018 0.018
Plasmodium falciparum histone deacetylase, putative 0.0114 0.0536 0.4213
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.0508 0.0576
Schistosoma mansoni alpha-glucosidase 0.0142 0.0685 0.0777
Brugia malayi hypothetical protein 0.0125 0.0592 0.2349
Echinococcus granulosus histone deacetylase 8 0.008 0.0353 0.0353
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0246 0.1247 0.1413
Loa Loa (eye worm) MH2 domain-containing protein 0.0483 0.252 1
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Echinococcus granulosus histone deacetylase 6 0.0114 0.0536 0.0536
Plasmodium vivax histone deacetylase 1, putative 0.0245 0.124 1
Schistosoma mansoni hypothetical protein 0.0344 0.1773 0.201
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0036 0.0114 0.0114
Brugia malayi MH1 domain containing protein 0.0033 0.0098 0.0389
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0098 0.0098
Brugia malayi F/Y-rich N-terminus family protein 0.0035 0.0112 0.0444
Trichomonas vaginalis inositol monophosphatase, putative 0.0075 0.0325 0.2473
Plasmodium vivax histone deacetylase 2, putative 0.0114 0.0536 0.4213
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0325 0.2473
Schistosoma mansoni smad 0.0033 0.0098 0.0111
Schistosoma mansoni Smad4 0.0033 0.0098 0.0111
Toxoplasma gondii histone deacetylase HDAC5 0.008 0.0353 0.2709
Brugia malayi MH1 domain containing protein 0.0033 0.0098 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0056 0.0222
Toxoplasma gondii histone deacetylase HDAC3 0.0245 0.124 1
Schistosoma mansoni hypothetical protein 0.0048 0.018 0.0204
Echinococcus multilocularis dnaJ subfamily B 0.1655 0.8824 0.8824
Entamoeba histolytica hypothetical protein 0.0109 0.0508 0.3979
Loa Loa (eye worm) histone deacetylase 7A 0.0114 0.0536 0.2129
Onchocerca volvulus 0.0095 0.0434 0.7342
Brugia malayi hypothetical protein 0.0109 0.0508 0.2016
Schistosoma mansoni intermediate filament proteins 0.0027 0.0065 0.0074
Schistosoma mansoni alpha-glucosidase 0.0142 0.0685 0.0777
Echinococcus multilocularis mucolipin 3 0.0066 0.0278 0.0278
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0024 0.0095
Schistosoma mansoni inositol monophosphatase 0.0075 0.0325 0.0368
Brugia malayi MH2 domain containing protein 0.0033 0.0098 0.0389
Echinococcus multilocularis histone deacetylase 6 0.0122 0.0576 0.0576
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0118 0.0773
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0245 0.124 1
Brugia malayi MH2 domain containing protein 0.0483 0.252 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.0063 0.0317
Echinococcus granulosus Smad4 0.0033 0.0098 0.0098
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0098 0.0098
Loa Loa (eye worm) histone deacetylase 11 0.008 0.0353 0.1403
Trypanosoma brucei glucosidase, putative 0.0037 0.0118 0.0773
Brugia malayi Coelomocyte uptake defective protein 5 0.0066 0.0278 0.1105
Loa Loa (eye worm) hypothetical protein 0.0104 0.048 0.1905
Plasmodium falciparum histone deacetylase 1 0.0245 0.124 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0056 0.0263
Echinococcus granulosus mixed lineage leukemia protein mll 0.0029 0.0076 0.0076
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0029 0.0076 0.0076
Echinococcus multilocularis histone deacetylase 0.0114 0.0536 0.0536
Schistosoma mansoni hypothetical protein 0.0104 0.048 0.0544
Brugia malayi Latrophilin receptor protein 2 0.0048 0.018 0.0713
Loa Loa (eye worm) Smad1 0.0033 0.0098 0.0389
Echinococcus multilocularis microtubule associated protein 2 0.0703 0.3704 0.3704
Schistosoma mansoni hypothetical protein 0.0048 0.018 0.0204
Loa Loa (eye worm) histone methyltransferase 0.0036 0.0114 0.0454
Brugia malayi MH1 domain containing protein 0.0018 0.0019 0.0075
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0026 0.0063 0.0317
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0067 0.0282 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0245 0.124 0.4922
Brugia malayi Histone deacetylase family protein 0.0114 0.0536 0.2129
Onchocerca volvulus 0.0027 0.0065 0.1105
Echinococcus granulosus inositol monophosphatase 1 0.0075 0.0325 0.0325
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0118 0.0773
Trypanosoma brucei histone deacetylase 4 0.0114 0.0536 0.4213
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0098 0.0098
Schistosoma mansoni smad1 5 8 and 0.0033 0.0098 0.0111
Echinococcus multilocularis histone deacetylase 6 0.0114 0.0536 0.0536
Schistosoma mansoni smad1 5 8 and 0.0033 0.0098 0.0111
Brugia malayi Smad1 0.0033 0.0098 0.0389
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0118 0.0468
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.018 0.018
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0065 0.0259
Entamoeba histolytica histone deacetylase, putative 0.0245 0.124 1
Trypanosoma cruzi histone deacetylase, putative 0.008 0.0353 0.2709
Entamoeba histolytica hypothetical protein 0.0109 0.0508 0.3979
Entamoeba histolytica hypothetical protein 0.0109 0.0508 0.3979
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0422 0.0422
Schistosoma mansoni hypothetical protein 0.0048 0.018 0.0204
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0075 0.0325 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0118 0.0773
Brugia malayi histone deacetylase 11 0.008 0.0353 0.1403
Trypanosoma cruzi histone deacetylase, putative 0.0114 0.0536 0.4213
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0245 0.124 1
Schistosoma mansoni histone deacetylase 4 5 0.0114 0.0536 0.0608
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0063 0.0317
Loa Loa (eye worm) hypothetical protein 0.0026 0.0063 0.0249
Trichomonas vaginalis histone deacetylase, putative 0.0245 0.124 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.0809 0.321
Leishmania major histone deacetylase, putative 0.0245 0.124 1
Toxoplasma gondii histone deacetylase HDAC4 0.008 0.0353 0.2709
Schistosoma mansoni histone deacetylase hda2 0.0122 0.0576 0.0653
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.018 0.018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0422 0.0422
Brugia malayi histone deacetylase 1 (HD1) 0.0245 0.124 0.4922
Echinococcus multilocularis histone deacetylase 8 0.008 0.0353 0.0353
Trichomonas vaginalis histone deacetylase, putative 0.0245 0.124 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0118 0.0773
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0325 0.2473
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0118 0.0773
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0029 0.0076 0.0086
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0826 0.4366 0.4366
Brugia malayi CXXC zinc finger family protein 0.0116 0.0546 0.2167
Loa Loa (eye worm) mucolipin 1 0.0066 0.0278 0.1105
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0118 0.0773
Schistosoma mansoni mucolipin 0.0061 0.0248 0.0282
Schistosoma mansoni cpg binding protein 0.0123 0.0582 0.0659
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0056 0.0263
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.0809 0.321
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0325 0.2473
Schistosoma mansoni cpg binding protein 0.0123 0.0582 0.0659
Plasmodium vivax histone deacetylase, putative 0.008 0.0353 0.2709
Echinococcus multilocularis histone deacetylase 3 0.0245 0.124 0.124
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0118 0.0773
Brugia malayi Inositol-1 0.0075 0.0325 0.1289
Echinococcus granulosus geminin 0.0344 0.1773 0.1773
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.0809 0.0809
Loa Loa (eye worm) histone deacetylase 3 0.0245 0.124 0.4922
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0422 0.1675
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.0508 0.0508
Echinococcus multilocularis histone deacetylase 1 0.0245 0.124 0.124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0422 0.0478
Toxoplasma gondii histone lysine methyltransferase SET1 0.022 0.1105 0.8891
Trypanosoma cruzi histone deacetylase, putative 0.0114 0.0536 0.4213
Echinococcus granulosus intermediate filament protein 0.0027 0.0065 0.0065
Leishmania major hypothetical protein, conserved 0.0025 0.0056 0.0263
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.0063 0.0317
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0024 0.0024
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0075 0.0325 0.2473
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0118 0.0118

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human recombinant HDAC10 ChEMBL. 19419863
IC50 (binding) = 885 nM Inhibition of human recombinant HDAC1 ChEMBL. 19419863
IC50 (binding) = 885 nM Inhibition of human recombinant HDAC6 ChEMBL. 19419863
IC50 (binding) = 3750 nM Inhibition of human recombinant HDAC2 ChEMBL. 19419863
IC50 (binding) = 7410 nM Inhibition of human recombinant HDAC3 ChEMBL. 19419863
IC50 (functional) = 7 uM Antiproliferative activity against human HUPT3 cells by MTT assay ChEMBL. 19419863
IC50 (functional) = 9 uM Antiproliferative activity against human BxPC3 cells by MTT assay ChEMBL. 19419863
IC50 (functional) = 30 uM Antiproliferative activity against human MIAPaCa2 cells by MTT assay ChEMBL. 19419863

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19419863

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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