Detailed information for compound 1591589

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 651.793 | Formula: C35H49N5O7
  • H donors: 3 H acceptors: 6 LogP: 3.9 Rotable bonds: 12
    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)CCCCC(=O)C(=O)CC)Cc1cn(c2c1cccc2)OC)C
  • InChi: 1S/C35H49N5O7/c1-5-22(3)32-31(43)21-39-18-12-11-16-28(39)35(46)36-25(14-8-10-17-30(42)29(41)6-2)33(44)37-26(34(45)38-32)19-23-20-40(47-4)27-15-9-7-13-24(23)27/h7,9,13,15,20,22,25-26,28,32H,5-6,8,10-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22-,25-,26-,28+,32-/m0/s1
  • InChiKey: SZGGDFVWRJOOGV-LFZZECACSA-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 10 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 5 References
Homo sapiens histone deacetylase 4 References
Homo sapiens histone deacetylase 6 References
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis 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 multilocularis histone deacetylase 1 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
Leishmania major histone deacetylase, 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
Brugia malayi Histone deacetylase family protein 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
Trypanosoma brucei histone deacetylase 1 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 japonicum Histone deacetylase 6, 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
Echinococcus multilocularis histone deacetylase 6 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
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum 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
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 7 Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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 infantum histone deacetylase, 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
Neospora caninum hypothetical protein 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
Toxoplasma gondii histone deacetylase HDAC1 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
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
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
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
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
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
Leishmania major 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
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
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
Brugia malayi histone deacetylase 1 (HD1) 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
Plasmodium vivax 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
Plasmodium knowlesi 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
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
Plasmodium knowlesi histone deacetylase 2, 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
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
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
Echinococcus granulosus 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
Echinococcus multilocularis histone deacetylase 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 multilocularis histone deacetylase 7 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
Plasmodium falciparum histone deacetylase, 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
Loa Loa (eye worm) histone deacetylase 3 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
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 3 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
Schistosoma japonicum Histone deacetylase 4, 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
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Neospora caninum hypothetical protein 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Schistosoma japonicum Histone deacetylase 6, 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
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
Cryptosporidium hominis histone deacetylase 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
Echinococcus multilocularis histone deacetylase 6 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
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
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
Leishmania donovani 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
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 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
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_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, 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 congolense histone deacetylase-like 1 protein, 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
Trichomonas vaginalis 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
Theileria parva histone deacetylase, 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
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 4, 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 1 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 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0469552 0.210861 0.209694
Echinococcus granulosus histone deacetylase 1 0.0340274 0.118826 0.117522
Plasmodium falciparum malate dehydrogenase 0.157803 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0430541 0.183089 0.18188
Loa Loa (eye worm) histone deacetylase 0.0430541 0.183089 0.18188
Schistosoma mansoni malate dehydrogenase 0.0807526 0.45147 0.450659
Echinococcus multilocularis lactate dehydrogenase protein 0.157803 1 1
Plasmodium falciparum histone deacetylase, putative 0.0430541 0.183089 0.0729281
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.118826 0.263198
Loa Loa (eye worm) hypothetical protein 0.157803 1 1
Echinococcus granulosus histone deacetylase 6 0.0430541 0.183089 0.18188
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.118826 0.263198
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Echinococcus multilocularis malate dehydrogenase 0.0814413 0.456373 0.455568
Echinococcus granulosus L lactate dehydrogenase 0.0903579 0.519852 0.519141
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0807526 0.45147 1
Echinococcus granulosus lactate dehydrogenase a 0.157803 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0430541 0.183089 0.18188
Loa Loa (eye worm) histone deacetylase 1 0.0340274 0.118826 0.117522
Trichomonas vaginalis malate dehydrogenase, putative 0.0461028 0.204793 0.453613
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0807526 0.45147 0.989223
Schistosoma mansoni histone deacetylase hda2 0.04412 0.190677 0.189479
Echinococcus multilocularis malate dehydrogenase 0.0814413 0.456373 0.455568
Echinococcus multilocularis lactate dehydrogenase a 0.157803 1 1
Schistosoma mansoni malate dehydrogenase 0.157803 1 1
Brugia malayi Histone deacetylase family protein 0.0430541 0.183089 0.18188
Leishmania major malate dehydrogenase, putative 0.157803 1 1
Echinococcus multilocularis histone deacetylase 1 0.0340274 0.118826 0.117522
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.118826 0.263198
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Schistosoma mansoni L-lactate dehydrogenase 0.157803 1 1
Trypanosoma brucei histone deacetylase 4 0.0430541 0.183089 0.399237
Schistosoma mansoni histone deacetylase 0.0340274 0.118826 0.117522
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.157803 1 1
Trypanosoma brucei histone deacetylase 1 0.0340274 0.118826 0.257968
Echinococcus multilocularis histone deacetylase 6 0.0430541 0.183089 0.18188
Brugia malayi Histone deacetylase 1 0.0340274 0.118826 0.117522
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.118826 0.263198
Plasmodium falciparum lactate dehydrogenase, putative 0.0674446 0.356728 0.269983
Schistosoma mansoni histone deacetylase 0.0340274 0.118826 0.117522
Echinococcus granulosus cytosolic malate dehydrogenase 0.0807526 0.45147 0.450659
Leishmania major malate dehydrogenase 0.0814413 0.456373 0.383065
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Echinococcus multilocularis histone deacetylase 7 0.0430541 0.183089 0.18188
Loa Loa (eye worm) malate dehydrogenase 0.0814413 0.456373 0.455568
Echinococcus granulosus histone deacetylase 6 0.0430541 0.183089 0.18188
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.157803 1 0.5
Trypanosoma brucei histone deacetylase 3 0.0430541 0.183089 0.399237
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Echinococcus multilocularis histone deacetylase 3 0.0340274 0.118826 0.117522
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Loa Loa (eye worm) hypothetical protein 0.0469552 0.210861 0.209694
Plasmodium vivax malate dehydrogenase, putative 0.157803 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trypanosoma cruzi histone deacetylase 1, putative 0.0340274 0.118826 0.257968
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0807526 0.45147 1
Loa Loa (eye worm) malate dehydrogenase 0.0807526 0.45147 0.450659
Leishmania major histone deacetylase, putative 0.0430541 0.183089 0.0729281
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0807526 0.45147 0.450659
Echinococcus multilocularis histone deacetylase 6 0.0430541 0.183089 0.18188
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0814413 0.456373 1
Brugia malayi lactate dehydrogenase. 0.157803 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0807526 0.45147 1
Toxoplasma gondii malate dehydrogenase MDH 0.157803 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.118826 0.263198
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Echinococcus multilocularis lactate dehydrogenase a 0.157803 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0233112 0.0425362 0.0942171
Trypanosoma cruzi malate dehydrogenase, putative 0.0674446 0.356728 0.780951
Echinococcus granulosus cytosolic malate dehydrogenase 0.0807526 0.45147 0.450659
Trichomonas vaginalis malate dehydrogenase, putative 0.0674446 0.356728 0.790148
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.183089 0.399237
Brugia malayi Histone deacetylase family protein 0.0430541 0.183089 0.18188
Leishmania major malate dehydrogenase, putative 0.0674446 0.356728 0.269983
Echinococcus granulosus histone deacetylase 6 0.04412 0.190677 0.189479
Echinococcus multilocularis L lactate dehydrogenase B chain 0.157803 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0814413 0.456373 1
Toxoplasma gondii histone deacetylase HDAC3 0.0340274 0.118826 0.117522
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Schistosoma mansoni malate dehydrogenase 0.0814413 0.456373 0.455568
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0807526 0.45147 0.989223
Loa Loa (eye worm) hypothetical protein 0.0340274 0.118826 0.117522
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0814413 0.456373 0.455568
Echinococcus granulosus histone deacetylase 7 0.0430541 0.183089 0.18188
Mycobacterium ulcerans malate dehydrogenase 0.0807526 0.45147 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0814413 0.456373 1
Trypanosoma brucei malate dehydrogenase-related 0.0674446 0.356728 0.780951
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0807526 0.45147 1
Schistosoma mansoni L-lactate dehydrogenase 0.0674446 0.356728 0.355776
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.118826 0.263198
Plasmodium vivax lactate dehydrogenase 0.157803 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.183089 0.399237
Trichomonas vaginalis malate dehydrogenase, putative 0.0327947 0.110051 0.243761
Echinococcus granulosus malate dehydrogenase 0.0814413 0.456373 0.455568
Onchocerca volvulus Histone deacetylase 10 homolog 0.0175439 0.00147764 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.0340274 0.118826 0.117522
Entamoeba histolytica malate dehydrogenase, putative 0.157803 1 1
Echinococcus granulosus histone deacetylase 0.0430541 0.183089 0.18188
Brugia malayi histone deacetylase 3 (HD3) 0.0340274 0.118826 0.117522
Chlamydia trachomatis malate dehydrogenase 0.0807526 0.45147 0.5
Leishmania major histone deacetylase, putative 0.0430541 0.183089 0.0729281
Trypanosoma brucei histone deacetylase, putative 0.0430541 0.183089 0.399237
Giardia lamblia Histone deacetylase 0.0340274 0.118826 0.186558
Loa Loa (eye worm) histone deacetylase 7A 0.0430541 0.183089 0.18188
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Loa Loa (eye worm) histone deacetylase 3 0.0340274 0.118826 0.117522
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0814413 0.456373 1
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.118826 0.263198
Echinococcus multilocularis lactate dehydrogenase a 0.157803 1 1
Echinococcus multilocularis histone deacetylase 6 0.04412 0.190677 0.189479
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.118826 0.263198
Loa Loa (eye worm) hypothetical protein 0.0265761 0.0657796 0.0643971
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.183089 0.399237
Echinococcus granulosus lactate dehydrogenase protein 0.157803 1 1
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0674446 0.356728 0.355776
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0807526 0.45147 0.450659
Plasmodium vivax histone deacetylase 1, putative 0.0340274 0.118826 0.117522
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0814413 0.456373 1
Plasmodium vivax histone deacetylase, putative 0.0430541 0.183089 0.18188
Echinococcus multilocularis histone deacetylase 0.0430541 0.183089 0.18188
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.118826 0.263198
Brugia malayi Serotonin receptor 0.0519285 0.246267 0.245152
Echinococcus granulosus histone deacetylase 3 0.0340274 0.118826 0.117522
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0814413 0.456373 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0807526 0.45147 0.5
Plasmodium falciparum histone deacetylase 2 0.0430541 0.183089 0.0729281
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Echinococcus multilocularis L lactate dehydrogenase 0.0903579 0.519852 0.519141
Plasmodium vivax histone deacetylase 2, putative 0.0430541 0.183089 0.18188
Leishmania major cytosolic malate dehydrogenase 0.0807526 0.45147 0.377501
Trichomonas vaginalis malate dehydrogenase, putative 0.0807526 0.45147 1
Loa Loa (eye worm) hypothetical protein 0.0255102 0.0581912 0.0567975
Toxoplasma gondii lactate dehydrogenase LDH2 0.157803 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0233112 0.0425362 0.0942171
Leishmania major mitochondrial malate dehydrogenase 0.0814413 0.456373 0.383065
Toxoplasma gondii histone deacetylase HDAC2 0.0340274 0.118826 0.117522
Toxoplasma gondii histone deacetylase HDAC1 0.0430541 0.183089 0.18188
Giardia lamblia Malate dehydrogenase 0.0807526 0.45147 1
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0807526 0.45147 0.377501
Entamoeba histolytica malate dehydrogenase, putative 0.0807526 0.45147 0.377501
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Trichomonas vaginalis conserved hypothetical protein 0.0233112 0.0425362 0.0942171
Toxoplasma gondii lactate dehydrogenase LDH1 0.157803 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0233112 0.0425362 0.0942171
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0807526 0.45147 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0807526 0.45147 0.450659
Echinococcus granulosus lactate dehydrogenase a 0.157803 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0340274 0.118826 0.257968
Plasmodium falciparum L-lactate dehydrogenase 0.157803 1 1
Echinococcus granulosus malate dehydrogenase 0.0814413 0.456373 0.455568
Schistosoma mansoni malate dehydrogenase 0.0807526 0.45147 0.450659
Trypanosoma brucei cytosolic malate dehydrogenase 0.0807526 0.45147 0.989223
Leishmania major glycosomal malate dehydrogenase 0.0814413 0.456373 0.383065

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 700 ng ml-1 In vitro antiprotozoal activity (functional assay) using whole red blood cells infected with Plasmodium falciparum ChEMBL. 11206438
IC50 (binding) = 18 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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