Detailed information for compound 1591590

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 699.816 | Formula: C32H47KN5O8P
  • H donors: 5 H acceptors: 7 LogP: 0.38 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)CCCCCP(=O)(O)[O-])Cc1cn(c2c1cccc2)OC)C.[K+]
  • InChi: 1S/C32H48N5O8P.K/c1-4-21(2)29-28(38)20-36-16-10-9-15-27(36)32(41)33-24(13-6-5-11-17-46(42,43)44)30(39)34-25(31(40)35-29)18-22-19-37(45-3)26-14-8-7-12-23(22)26;/h7-8,12,14,19,21,24-25,27,29H,4-6,9-11,13,15-18,20H2,1-3H3,(H,33,41)(H,34,39)(H,35,40)(H2,42,43,44);/q;+1/p-1/t21-,24-,25-,27+,29-;/m0./s1
  • InChiKey: DAZALYWLJRCDNR-SKNPYRJXSA-M  


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 5 References
Homo sapiens histone deacetylase 4 References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 6 References
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica 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
Trypanosoma congolense histone deacetylase-like 1 protein, putative 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 japonicum Histone deacetylase 4, 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 donovani 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Loa Loa (eye worm) hypothetical protein 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
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
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
Plasmodium vivax 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
Babesia bovis histone deacetylase 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
Giardia lamblia 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
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
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major 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
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase family 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
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis 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
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania 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
Trypanosoma brucei 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
Schistosoma japonicum Histone deacetylase 10, 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
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
Leishmania braziliensis 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
Loa Loa (eye worm) histone deacetylase 3 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
Leishmania mexicana 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
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 4 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
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
Plasmodium berghei 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 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
Cryptosporidium hominis histone deacetylase 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
Plasmodium falciparum 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
Plasmodium falciparum 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
Echinococcus granulosus histone deacetylase 6 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 braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 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 mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 3 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
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis 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
Plasmodium yoelii 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
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis 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
Trypanosoma congolense histone deacetylase 4 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
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva 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 donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
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 multilocularis histone deacetylase 6 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
Theileria parva 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
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
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
Schistosoma mansoni histone deacetylase 4 5 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
Trichomonas vaginalis 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
Schistosoma japonicum Histone deacetylase 4, 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 yoelii Histone deacetylase family, 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
Loa Loa (eye worm) hypothetical protein 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
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
Theileria parva histone deacetylase, putative 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 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
Echinococcus multilocularis L lactate dehydrogenase B chain 0.161358 1 1
Echinococcus multilocularis malate dehydrogenase 0.0817719 0.414151 0.374963
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Leishmania major malate dehydrogenase, putative 0.161358 1 1
Brugia malayi lactate dehydrogenase. 0.161358 1 1
Echinococcus granulosus histone deacetylase 0.0430541 0.129143 0.0708915
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0810961 0.409177 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0810961 0.409177 0.369656
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0817719 0.414151 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0810961 0.409177 0.5
Echinococcus granulosus malate dehydrogenase 0.0817719 0.414151 0.374963
Schistosoma mansoni malate dehydrogenase 0.0817719 0.414151 0.374963
Echinococcus multilocularis malate dehydrogenase 0.0817719 0.414151 0.374963
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0810961 0.409177 0.985846
Echinococcus granulosus cytosolic malate dehydrogenase 0.0810961 0.409177 0.369656
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.0626962 0.0196772
Echinococcus granulosus lactate dehydrogenase a 0.161358 1 1
Plasmodium vivax lactate dehydrogenase 0.161358 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0680367 0.313044 0.728005
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.129143 0.189062
Brugia malayi Histone deacetylase family protein 0.0430541 0.129143 0.0708915
Leishmania major malate dehydrogenase, putative 0.0680367 0.313044 0.267094
Trypanosoma brucei histone deacetylase 4 0.0430541 0.129143 0.189062
Echinococcus granulosus malate dehydrogenase 0.0817719 0.414151 0.374963
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0817719 0.414151 1
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.129143 0.189062
Loa Loa (eye worm) malate dehydrogenase 0.0817719 0.414151 0.414151
Echinococcus granulosus lactate dehydrogenase protein 0.161358 1 1
Plasmodium vivax histone deacetylase, putative 0.0430541 0.129143 0.0708915
Mycobacterium ulcerans malate dehydrogenase 0.0810961 0.409177 0.5
Leishmania major malate dehydrogenase 0.0817719 0.414151 0.374963
Loa Loa (eye worm) hypothetical protein 0.0265761 0.0078463 0.0078463
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.0626962 0.0196772
Leishmania major histone deacetylase, putative 0.0430541 0.129143 0.0708915
Echinococcus multilocularis histone deacetylase 6 0.0430541 0.129143 0.0708915
Leishmania major cytosolic malate dehydrogenase 0.0810961 0.409177 0.369656
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Echinococcus multilocularis histone deacetylase 0.0430541 0.129143 0.0708915
Giardia lamblia Malate dehydrogenase 0.0810961 0.409177 1
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0810961 0.409177 0.369656
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.161358 1 0.5
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0680367 0.313044 0.267094
Trypanosoma brucei glycosomal malate dehydrogenase 0.0817719 0.414151 1
Loa Loa (eye worm) malate dehydrogenase 0.0810961 0.409177 0.409177
Echinococcus multilocularis histone deacetylase 6 0.04412 0.136989 0.0792626
Echinococcus granulosus histone deacetylase 6 0.0430541 0.129143 0.0708915
Plasmodium falciparum malate dehydrogenase 0.161358 1 1
Plasmodium vivax malate dehydrogenase, putative 0.161358 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.0430541 0.129143 0.129143
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Loa Loa (eye worm) histone deacetylase 0.0430541 0.129143 0.129143
Plasmodium falciparum histone deacetylase 2 0.0430541 0.129143 0.0708915
Leishmania major mitochondrial malate dehydrogenase 0.0817719 0.414151 0.374963
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.0626962 0.0196772
Leishmania major histone deacetylase, putative 0.0430541 0.129143 0.0708915
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.0626962 0.0196772
Loa Loa (eye worm) hypothetical protein 0.0340274 0.0626962 0.0626962
Entamoeba histolytica malate dehydrogenase, putative 0.161358 1 1
Echinococcus granulosus histone deacetylase 6 0.04412 0.136989 0.0792626
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0810961 0.409177 1
Echinococcus multilocularis L lactate dehydrogenase 0.0933217 0.499171 0.465671
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0810961 0.409177 1
Plasmodium falciparum histone deacetylase, putative 0.0430541 0.129143 0.0708915
Trichomonas vaginalis malate dehydrogenase, putative 0.046142 0.151874 0.271995
Schistosoma mansoni histone deacetylase hda2 0.04412 0.136989 0.0792626
Toxoplasma gondii malate dehydrogenase MDH 0.161358 1 1
Trypanosoma brucei histone deacetylase 3 0.0430541 0.129143 0.189062
Leishmania major glycosomal malate dehydrogenase 0.0817719 0.414151 0.374963
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.0626962 0.0196772
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.129143 0.189062
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.0626962 0.0196772
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0810961 0.409177 0.985846
Trypanosoma brucei histone deacetylase, putative 0.0430541 0.129143 0.189062
Echinococcus granulosus cytosolic malate dehydrogenase 0.0810961 0.409177 0.369656
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0817719 0.414151 1
Schistosoma mansoni L-lactate dehydrogenase 0.161358 1 1
Echinococcus granulosus lactate dehydrogenase a 0.161358 1 1
Trypanosoma brucei malate dehydrogenase-related 0.0680367 0.313044 0.712319
Schistosoma mansoni malate dehydrogenase 0.161358 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.161358 1 1
Entamoeba histolytica malate dehydrogenase, putative 0.0810961 0.409177 0.369656
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0810961 0.409177 1
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.0626962 0.0196772
Loa Loa (eye worm) histone deacetylase 1 0.0340274 0.0626962 0.0626962
Echinococcus multilocularis lactate dehydrogenase a 0.161358 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0817719 0.414151 1
Chlamydia trachomatis malate dehydrogenase 0.0810961 0.409177 0.5
Loa Loa (eye worm) hypothetical protein 0.161358 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0680367 0.313044 0.712319
Echinococcus multilocularis lactate dehydrogenase a 0.161358 1 1
Schistosoma mansoni malate dehydrogenase 0.0810961 0.409177 0.369656
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0810961 0.409177 0.369656
Schistosoma mansoni L-lactate dehydrogenase 0.0680367 0.313044 0.267094
Trypanosoma brucei cytosolic malate dehydrogenase 0.0810961 0.409177 0.985846
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0810961 0.409177 1
Plasmodium falciparum lactate dehydrogenase, putative 0.0680367 0.313044 0.267094
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0817719 0.414151 0.374963
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0817719 0.414151 1
Schistosoma mansoni histone deacetylase 4 5 0.0430541 0.129143 0.0708915
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.0626962 0.0196772
Echinococcus multilocularis histone deacetylase 6 0.0430541 0.129143 0.0708915
Echinococcus granulosus histone deacetylase 6 0.0430541 0.129143 0.0708915
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.0626962 0.0196772
Toxoplasma gondii lactate dehydrogenase LDH1 0.161358 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Schistosoma mansoni histone deacetylase 4 5 0.0430541 0.129143 0.0708915
Echinococcus granulosus L lactate dehydrogenase 0.0933217 0.499171 0.465671
Echinococcus multilocularis lactate dehydrogenase protein 0.161358 1 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0810961 0.409177 0.369656
Echinococcus granulosus histone deacetylase 7 0.0430541 0.129143 0.0708915
Brugia malayi Histone deacetylase family protein 0.0430541 0.129143 0.0708915
Plasmodium falciparum L-lactate dehydrogenase 0.161358 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0430541 0.129143 0.0708915
Schistosoma mansoni malate dehydrogenase 0.0810961 0.409177 0.369656
Echinococcus granulosus L lactate dehydrogenase B chain 0.161358 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0430541 0.129143 0.0708915
Echinococcus multilocularis histone deacetylase 7 0.0430541 0.129143 0.0708915
Echinococcus multilocularis lactate dehydrogenase a 0.161358 1 1
Loa Loa (eye worm) histone deacetylase 3 0.0340274 0.0626962 0.0626962
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0810961 0.409177 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) = 180 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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