Detailed information for compound 1569819

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 641.821 | Formula: C33H47N5O6S
  • H donors: 3 H acceptors: 5 LogP: 4.56 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2N(CC1=O)CCCC2)CCCCSC(=O)C)Cc1cn(c2c1cccc2)OC)C
  • InChi: 1S/C33H47N5O6S/c1-5-21(2)30-29(40)20-37-16-10-8-15-28(37)33(43)34-25(13-9-11-17-45-22(3)39)31(41)35-26(32(42)36-30)18-23-19-38(44-4)27-14-7-6-12-24(23)27/h6-7,12,14,19,21,25-26,28,30H,5,8-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21-,25-,26-,28+,30-/m0/s1
  • InChiKey: AJQAQAFHPUKXLE-VHKXXLIKSA-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 8 References
Homo sapiens histone deacetylase 1 References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 6 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative 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
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family 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
Babesia bovis 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
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_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni 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
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
Echinococcus granulosus histone deacetylase 6 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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
Leishmania donovani 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
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_126654 All targets in OG5_126654
Plasmodium yoelii Histone deacetylase family, 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
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
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
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
Echinococcus granulosus histone deacetylase 6 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
Leishmania braziliensis 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
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
Loa Loa (eye worm) histone deacetylase 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
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania 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
Cryptosporidium hominis histone deacetylase 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 Histone deacetylase 6, 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
Brugia malayi Histone deacetylase family 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 mansoni histone deacetylase hda2 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
Brugia malayi histone deacetylase 1 (HD1) 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 congolense histone deacetylase, 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
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 3 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
Neospora caninum hypothetical protein 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
Trypanosoma brucei gambiense histone deacetylase, putative 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
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 3 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Echinococcus multilocularis 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
Plasmodium berghei histone deacetylase, 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
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani 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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase 1 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
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
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 7A 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
Leishmania infantum 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 braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum 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
Echinococcus multilocularis histone deacetylase 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 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
Trypanosoma cruzi histone deacetylase 1, 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 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, 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
Leishmania braziliensis 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 2, 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
Loa Loa (eye worm) histone deacetylase 3 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
Brugia malayi histone deacetylase 3 (HD3) 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Trypanosoma 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.00405404 0.0313661 0.0284404
Giardia lamblia NADH oxidase lateral transfer candidate 0.00414689 0.0343946 0.0320697
Brugia malayi histone deacetylase 3 (HD3) 0.0289104 0.842075 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.00414689 0.0343946 0.0320697
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0240024 0.681997 0.808162
Echinococcus multilocularis histone deacetylase 6 0.0260323 0.748204 0.748204
Trypanosoma brucei ABC transporter, putative 0.00686132 0.122927 0.138168
Loa Loa (eye worm) ABC transporter 0.00584429 0.0897563 0.0984157
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.00920961 0.199519 0.229956
Echinococcus granulosus thioredoxin glutathione reductase 0.0166124 0.440968 0.440968
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0240024 0.681997 0.808162
Schistosoma mansoni histone deacetylase hda2 0.0124269 0.304453 0.361551
Echinococcus multilocularis histone deacetylase 6 0.0270982 0.782969 0.782969
Trypanosoma cruzi histone deacetylase, putative 0.0260323 0.748204 0.887505
Leishmania major dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Brugia malayi Protein kinase domain containing protein 0.00920961 0.199519 0.229956
Toxoplasma gondii histone deacetylase HDAC2 0.0289104 0.842075 1
Schistosoma mansoni lipoxygenase 0.0108662 0.253549 0.301101
Loa Loa (eye worm) histone deacetylase 7A 0.0260323 0.748204 0.887505
Loa Loa (eye worm) hypothetical protein 0.0146713 0.377657 0.443438
Plasmodium falciparum thioredoxin reductase 0.00414689 0.0343946 0.0320697
Brugia malayi Uncoordinated protein 44 0.00404854 0.0311865 0.0282251
Trypanosoma brucei histone deacetylase 3 0.0260323 0.748204 0.887505
Brugia malayi Histone deacetylase 1 0.0289104 0.842075 1
Plasmodium vivax histone deacetylase 1, putative 0.0289104 0.842075 1
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.00332642 0.00763428 0.00763428
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.00332642 0.00763428 0.00763428
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.00414689 0.0343946 0.0320697
Echinococcus granulosus dual specificity 0.00920961 0.199519 0.199519
Schistosoma mansoni hypothetical protein 0.00404854 0.0311865 0.0370353
Toxoplasma gondii NADPH-glutathione reductase 0.00414689 0.0343946 0.0320697
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0290397 0.846291 1
Entamoeba histolytica protein kinase, putative 0.00920961 0.199519 0.106503
Echinococcus granulosus histone deacetylase 6 0.0270982 0.782969 0.782969
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.00332642 0.00763428 0.00763428
Echinococcus multilocularis dual specificity 0.00920961 0.199519 0.199519
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.00332642 0.00763428 0.00906604
Plasmodium falciparum glutathione reductase 0.0165064 0.437508 0.515163
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.00332642 0.00763428 0.00763428
Echinococcus multilocularis histone deacetylase 6 0.0260323 0.748204 0.748204
Echinococcus multilocularis histone deacetylase 3 0.0289104 0.842075 0.842075
Schistosoma mansoni histone deacetylase 4 5 0.0260323 0.748204 0.888525
Loa Loa (eye worm) hypothetical protein 0.0289104 0.842075 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.00414689 0.0343946 0.0320697
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0240024 0.681997 0.681997
Trypanosoma brucei ATP-binding cassette protein, putative 0.00686132 0.122927 0.138168
Schistosoma mansoni hypothetical protein 0.00582439 0.0891074 0.105819
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.00414689 0.0343946 0.040845
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.00404854 0.0311865 0.0282251
Leishmania major dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Loa Loa (eye worm) hypothetical protein 0.0136054 0.342892 0.401775
Schistosoma mansoni histone deacetylase 0.0289104 0.842075 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.00414689 0.0343946 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.00414689 0.0343946 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0337524 1 1
Entamoeba histolytica protein kinase, putative 0.00920961 0.199519 0.106503
Toxoplasma gondii histone deacetylase HDAC5 0.0124324 0.304633 0.355925
Trypanosoma cruzi trypanothione reductase, putative 0.0165064 0.437508 0.515163
Loa Loa (eye worm) hypothetical protein 0.00404854 0.0311865 0.0282251
Schistosoma mansoni histone deacetylase 4 5 0.0260323 0.748204 0.888525
Entamoeba histolytica hypothetical protein 0.00920961 0.199519 0.106503
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0312397 0.918045 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.00686132 0.122927 0.10019
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.00332642 0.00763428 0.00763428
Loa Loa (eye worm) hypothetical protein 0.00916418 0.198037 0.22818
Leishmania major trypanothione reductase 0.0165064 0.437508 0.515163
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.00414689 0.0343946 0.0320697
Plasmodium falciparum histone deacetylase, putative 0.0260323 0.748204 0.887505
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.00332642 0.00763428 0.00763428
Schistosoma mansoni lipoxygenase 0.00740841 0.140771 0.167172
Brugia malayi Protein kinase domain containing protein 0.00409396 0.0326682 0.0300008
Trichomonas vaginalis histone deacetylase, putative 0.0289104 0.842075 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289104 0.842075 1
Loa Loa (eye worm) thioredoxin reductase 0.0165064 0.437508 0.515163
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0273289 0.790491 0.938742
Brugia malayi histone deacetylase 1 (HD1) 0.0289104 0.842075 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0124269 0.304453 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.00686132 0.122927 0.10019
Plasmodium vivax histone deacetylase 2, putative 0.0260323 0.748204 0.887505
Schistosoma mansoni netrin receptor unc5 0.00404854 0.0311865 0.0370353
Loa Loa (eye worm) hypothetical protein 0.00916418 0.198037 0.22818
Echinococcus granulosus Ankyrin 0.00405404 0.0313661 0.0313661
Brugia malayi Death domain containing protein 0.00404854 0.0311865 0.0282251
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.00404854 0.0311865 0.0311865
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.00332642 0.00763428 0.00906604
Plasmodium vivax histone deacetylase, putative 0.0260323 0.748204 0.887505
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.00332642 0.00763428 0.00763428
Plasmodium falciparum ABC transporter G family member 2 0.00686132 0.122927 0.138168
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.00332642 0.00763428 0.00763428
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289104 0.842075 1
Echinococcus multilocularis histone deacetylase 1 0.0289104 0.842075 0.842075
Trypanosoma cruzi histone deacetylase 1, putative 0.0289104 0.842075 1
Trypanosoma cruzi histone deacetylase, putative 0.0124269 0.304453 0.35571
Schistosoma mansoni ankyrin 23/unc44 0.00404854 0.0311865 0.0370353
Echinococcus granulosus netrin receptor unc 5 0.00404854 0.0311865 0.0311865
Trichomonas vaginalis glutathione reductase, putative 0.00414689 0.0343946 0.0320697
Brugia malayi ABC transporter family protein 0.00584429 0.0897563 0.0984157
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0273289 0.790491 0.790491
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.00414689 0.0343946 0.0320697
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0289104 0.842075 1
Echinococcus multilocularis ATP binding cassette sub family G 0.00686132 0.122927 0.122927
Trypanosoma brucei trypanothione reductase 0.0165064 0.437508 0.515163
Loa Loa (eye worm) hypothetical protein 0.0124269 0.304453 0.35571
Plasmodium vivax glutathione reductase, putative 0.0165064 0.437508 0.515163
Echinococcus multilocularis Ankyrin 0.00405404 0.0313661 0.0313661
Echinococcus multilocularis histone deacetylase 7 0.0260323 0.748204 0.748204
Echinococcus granulosus nuclear factor of activated T cells 5 0.0337524 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.00414689 0.0343946 0.0320697
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.00414689 0.0343946 0.0343946
Echinococcus multilocularis histone deacetylase 8 0.0124269 0.304453 0.304453
Echinococcus multilocularis ATP binding cassette sub family G 0.00686132 0.122927 0.122927
Plasmodium vivax histone deacetylase, putative 0.0124269 0.304453 0.35571
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.00332642 0.00763428 0.00763428
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.00332642 0.00763428 0.00906604
Echinococcus granulosus death domain containing protein 0.00404854 0.0311865 0.0311865
Trypanosoma cruzi histone deacetylase 1, putative 0.0289104 0.842075 1
Trypanosoma cruzi ATP-binding cassette protein, putative 0.00686132 0.122927 0.138168
Trichomonas vaginalis mercuric reductase, putative 0.00414689 0.0343946 0.0320697
Trichomonas vaginalis histone deacetylase, putative 0.0289104 0.842075 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.00332642 0.00763428 0.00763428
Plasmodium falciparum glutathione reductase 0.00414689 0.0343946 0.0320697
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Schistosoma mansoni ABC transporter 0.00584429 0.0897563 0.10659
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0312397 0.918045 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.00414689 0.0343946 0.5
Brugia malayi Histone deacetylase family protein 0.0260323 0.748204 0.887505
Plasmodium falciparum histone deacetylase 2 0.0260323 0.748204 0.887505
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.00414689 0.0343946 0.0343946
Loa Loa (eye worm) histone deacetylase 1 0.0289104 0.842075 1
Leishmania major histone deacetylase, putative 0.0260323 0.748204 0.887505
Schistosoma mansoni serine/threonine protein kinase 0.00920961 0.199519 0.236937
Toxoplasma gondii histone deacetylase HDAC3 0.0289104 0.842075 1
Leishmania major histone deacetylase, putative 0.0289104 0.842075 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Trypanosoma brucei histone deacetylase 4 0.0260323 0.748204 0.887505
Plasmodium vivax ABC transporter G family member 2, putative 0.00686132 0.122927 0.138168
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.00332642 0.00763428 0.00763428
Echinococcus granulosus histone deacetylase 0.0260323 0.748204 0.748204
Echinococcus granulosus histone deacetylase 6 0.0260323 0.748204 0.748204
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.00414689 0.0343946 0.0320697
Echinococcus granulosus ATP binding cassette sub family G 0.00686132 0.122927 0.122927
Echinococcus granulosus histone deacetylase 8 0.0124269 0.304453 0.304453
Giardia lamblia ABC transporter 0.00684142 0.122278 0.13739
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.00405404 0.0313661 0.0372486
Echinococcus granulosus histone deacetylase 3 0.0289104 0.842075 0.842075
Leishmania major histone deacetylase, putative 0.0289104 0.842075 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.00414689 0.0343946 0.0320697
Trypanosoma cruzi histone deacetylase, putative 0.0260323 0.748204 0.887505
Echinococcus multilocularis netrin receptor unc 5 0.00404854 0.0311865 0.0311865
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0273289 0.790491 0.790491
Echinococcus granulosus histone deacetylase 6 0.0260323 0.748204 0.748204
Brugia malayi Thioredoxin reductase 0.0165064 0.437508 0.515163
Loa Loa (eye worm) histone deacetylase 0.0260323 0.748204 0.887505
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.00582439 0.0891074 0.067389
Echinococcus multilocularis thioredoxin glutathione reductase 0.0166124 0.440968 0.440968
Toxoplasma gondii histone deacetylase HDAC4 0.0124269 0.304453 0.35571
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.00920961 0.199519 0.229956
Plasmodium falciparum histone deacetylase 1 0.0289104 0.842075 1
Schistosoma mansoni histone deacetylase hda2 0.0270982 0.782969 0.92981
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.00332642 0.00763428 0.00906604
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0273289 0.790491 0.790491
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.00920961 0.199519 0.229956
Plasmodium falciparum thioredoxin reductase 0.0165064 0.437508 0.515163
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.00686132 0.122927 0.138168
Trypanosoma brucei histone deacetylase 2 0.0124269 0.304453 0.35571
Toxoplasma gondii histone deacetylase HDAC1 0.0260323 0.748204 0.887505
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.00414689 0.0343946 0.0320697
Trypanosoma brucei histone deacetylase, putative 0.0260323 0.748204 0.887505
Brugia malayi histone deacetylase 11 0.0124269 0.304453 0.35571
Trichomonas vaginalis histone deacetylase, putative 0.0289104 0.842075 1
Trypanosoma cruzi trypanothione reductase, putative 0.00414689 0.0343946 0.0320697
Echinococcus multilocularis ATP binding cassette sub family G 0.00686132 0.122927 0.122927
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.00404854 0.0311865 0.0311865
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.00332642 0.00763428 0.00906604
Echinococcus granulosus histone deacetylase 7 0.0260323 0.748204 0.748204
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0108662 0.253549 0.253549
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.00686132 0.122927 0.10019
Giardia lamblia Histone deacetylase 0.0289104 0.842075 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.00686132 0.122927 0.145982
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.00332642 0.00763428 0.00906604
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.00332642 0.00763428 0.00763428
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.00332642 0.00763428 0.00906604
Trichomonas vaginalis histone deacetylase, putative 0.0289104 0.842075 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0165064 0.437508 0.496508
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.00686132 0.122927 0.138168
Trypanosoma cruzi histone deacetylase, putative 0.0124269 0.304453 0.35571
Brugia malayi glutathione reductase 0.0165064 0.437508 0.515163
Echinococcus granulosus ATP binding cassette sub family G 0.00686132 0.122927 0.122927
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0273289 0.790491 0.938181
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0108662 0.253549 0.253549
Brugia malayi Immunoglobulin I-set domain containing protein 0.00404854 0.0311865 0.0282251
Plasmodium vivax thioredoxin reductase, putative 0.0165064 0.437508 0.515163
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.00332642 0.00763428 0.00906604
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.00332642 0.00763428 0.00906604
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Loa Loa (eye worm) hypothetical protein 0.0273289 0.790491 0.938181
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0273289 0.790491 0.790491
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.00414689 0.0343946 0.0320697
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.00920961 0.199519 0.229956
Loa Loa (eye worm) glutathione reductase 0.0165064 0.437508 0.515163
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.00686132 0.122927 0.138168
Treponema pallidum NADH oxidase 0.00414689 0.0343946 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0240024 0.681997 0.681997
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.00414689 0.0343946 0.0320697
Brugia malayi Histone deacetylase family protein 0.0260323 0.748204 0.887505
Entamoeba histolytica histone deacetylase, putative 0.0289104 0.842075 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0124269 0.304453 0.361551
Trichomonas vaginalis histone deacetylase, putative 0.0289104 0.842075 1
Entamoeba histolytica protein kinase domain containing protein 0.00920961 0.199519 0.106503
Echinococcus granulosus ATP binding cassette sub family G 0.00686132 0.122927 0.122927
Trypanosoma brucei histone deacetylase 1 0.0289104 0.842075 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.00414689 0.0343946 0.0320697
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.00414689 0.0343946 0.5
Toxoplasma gondii thioredoxin reductase 0.0165064 0.437508 0.515163
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0273289 0.790491 0.938181
Trypanosoma cruzi ABC transporter, putative 0.00686132 0.122927 0.138168
Trichomonas vaginalis histone deacetylase, putative 0.0289104 0.842075 1
Echinococcus multilocularis histone deacetylase 0.0260323 0.748204 0.748204
Schistosoma mansoni histone deacetylase 0.0289104 0.842075 1
Echinococcus granulosus histone deacetylase 1 0.0289104 0.842075 0.842075
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.00920961 0.199519 0.229956
Trypanosoma cruzi histone deacetylase, putative 0.0260323 0.748204 0.887505
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.00414689 0.0343946 0.0320697
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.00332642 0.00763428 0.00906604
Loa Loa (eye worm) histone deacetylase 11 0.0124269 0.304453 0.35571
Leishmania major histone deacetylase, putative 0.0260323 0.748204 0.887505
Loa Loa (eye worm) histone deacetylase 3 0.0289104 0.842075 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 1000 ng ml-1 In vitro antiprotozoal activity (functional assay) using whole red blood cells infected with Plasmodium falciparum ChEMBL. 11206438
IC50 (binding) = 110 nM Inhibitory activity against histone deacetylase (HDAC) derived from partially purified extracts of human HeLa cells ChEMBL. 11206438

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 11206438

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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