Detailed information for compound 1087605

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.494 | Formula: C23H28N4O2
  • H donors: 2 H acceptors: 4 LogP: 4.37 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCCCn1nnc(c1)c1cccc(c1)c1ccccc1
  • InChi: 1S/C23H28N4O2/c28-23(25-29)15-8-3-1-2-4-9-16-27-18-22(24-26-27)21-14-10-13-20(17-21)19-11-6-5-7-12-19/h5-7,10-14,17-18,29H,1-4,8-9,15-16H2,(H,25,28)
  • InChiKey: RTJPNOWZBVXACQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 6 References
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 5 References
Homo sapiens histone deacetylase 4 References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 1 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii 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
Cryptosporidium hominis hypothetical protein 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 brucei 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
Echinococcus multilocularis histone deacetylase 6 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
Brugia malayi histone deacetylase 1 (HD1) 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 granulosus histone deacetylase 7 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
Plasmodium berghei 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 major 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
Leishmania braziliensis histone deacetylase, putative 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
Plasmodium falciparum histone deacetylase 2 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 donovani histone deacetylase, putative 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
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
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
Leishmania infantum 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
Echinococcus multilocularis histone deacetylase 3 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
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 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 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 1 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
Theileria parva 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
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 6 Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase, 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
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
Trypanosoma brucei gambiense 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
Leishmania braziliensis histone deacetylase, putative 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
Plasmodium knowlesi 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
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major 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
Leishmania mexicana histone deacetylase, 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
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, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
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
Babesia bovis 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
Plasmodium vivax histone deacetylase, 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
Leishmania mexicana 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 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
Loa Loa (eye worm) histone deacetylase 1 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
Echinococcus granulosus histone deacetylase 6 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
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase hda2 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus 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
Trichomonas vaginalis 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Toxoplasma gondii histone deacetylase HDAC2 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
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana 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
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis 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, 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
Schistosoma japonicum Histone deacetylase 10, 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
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
Loa Loa (eye worm) hypothetical protein 0.00966009 0.0977279 0.059324
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Trypanosoma cruzi histone deacetylase 1, putative 0.0340274 0.735743 0.743966
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.972091 1
Echinococcus granulosus histone deacetylase 0.0430541 0.972091 0.970654
Toxoplasma gondii histone deacetylase HDAC3 0.0340274 0.735743 0.743966
Onchocerca volvulus 0.0246857 0.491149 1
Trypanosoma cruzi histone deacetylase, putative 0.0175439 0.304151 0.276427
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Plasmodium vivax histone deacetylase 2, putative 0.0430541 0.972091 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0246857 0.491149 0.479
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.00811467 0.0572636 0.0572636
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.735743 1
Echinococcus multilocularis aldehyde reductase 0.0168876 0.286967 0.250246
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Trichomonas vaginalis aldo/keto reductase, putative 0.0246857 0.491149 0.643846
Loa Loa (eye worm) hypothetical protein 0.0340274 0.735743 0.745727
Echinococcus multilocularis aldo keto reductase 0.0246857 0.491149 0.464943
Echinococcus granulosus histone deacetylase 8 0.0175439 0.304151 0.268315
Trypanosoma brucei histone deacetylase 4 0.0430541 0.972091 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.735743 1
Plasmodium vivax histone deacetylase, putative 0.0175439 0.304151 0.276427
Schistosoma mansoni pol-related 0.0246857 0.491149 0.491149
Leishmania major aldo-keto reductase-like protein 0.0246857 0.491149 0.479
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0077982 0.0489774 0.00687631
Loa Loa (eye worm) histone deacetylase 11 0.0175439 0.304151 0.281402
Brugia malayi Histone deacetylase family protein 0.0430541 0.972091 1
Schistosoma mansoni potassium channel beta 0.0077982 0.0489774 0.0489774
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.00811467 0.0572636 0.0572636
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Onchocerca volvulus 0.0112006 0.138064 0.201474
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0246857 0.491149 0.643846
Echinococcus multilocularis histone deacetylase 7 0.0430541 0.972091 0.970654
Loa Loa (eye worm) hypothetical protein 0.0175439 0.304151 0.281402
Onchocerca volvulus 0.00811467 0.0572636 0.0187397
Loa Loa (eye worm) hypothetical protein 0.0265761 0.540645 0.535832
Echinococcus multilocularis histone deacetylase 8 0.0175439 0.304151 0.268315
Onchocerca volvulus 0.0246857 0.491149 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Loa Loa (eye worm) oxidoreductase 0.0246857 0.491149 0.482583
Leishmania major histone deacetylase, putative 0.0430541 0.972091 1
Leishmania major histone deacetylase, putative 0.0430541 0.972091 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.735743 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Loa Loa (eye worm) oxidoreductase 0.0246857 0.491149 0.482583
Echinococcus multilocularis aldo keto reductase 0.0246857 0.491149 0.464943
Echinococcus multilocularis histone deacetylase 0.0430541 0.972091 0.970654
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Loa Loa (eye worm) hypothetical protein 0.00811467 0.0572636 0.0157909
Echinococcus multilocularis histone deacetylase 6 0.0430541 0.972091 0.970654
Onchocerca volvulus 0.0246857 0.491149 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Trichomonas vaginalis aldo/keto reductase, putative 0.0246857 0.491149 0.643846
Schistosoma mansoni histone deacetylase 4 5 0.0430541 0.972091 0.972091
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Leishmania major histone deacetylase, putative 0.0340274 0.735743 0.743966
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0246857 0.491149 1
Loa Loa (eye worm) histone deacetylase 0.0430541 0.972091 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Loa Loa (eye worm) histone deacetylase 3 0.0340274 0.735743 0.745727
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Brugia malayi NADH-dependent xylose reductase 0.0077982 0.0489774 0.0503836
Trypanosoma brucei histone deacetylase 3 0.0430541 0.972091 1
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.735743 1
Toxoplasma gondii histone deacetylase HDAC5 0.0175439 0.304151 0.276427
Plasmodium falciparum histone deacetylase 2 0.0430541 0.972091 1
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.972091 1
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.735743 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Entamoeba histolytica aldose reductase, putative 0.0246857 0.491149 0.643846
Toxoplasma gondii aldose reductase, putative 0.0246857 0.491149 0.479
Toxoplasma gondii histone deacetylase HDAC1 0.0430541 0.972091 1
Loa Loa (eye worm) oxidoreductase 0.0246857 0.491149 0.482583
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Schistosoma mansoni histone deacetylase hda2 0.04412 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0168876 0.286967 0.538228
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.735743 1
Trypanosoma brucei histone deacetylase 2 0.0175439 0.304151 0.276427
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0246857 0.491149 0.50525
Echinococcus granulosus aldo keto reductase 0.0246857 0.491149 0.464943
Schistosoma mansoni histone deacetylase 1 2 3 0.0175439 0.304151 0.304151
Brugia malayi histone deacetylase 1 (HD1) 0.0340274 0.735743 0.756866
Loa Loa (eye worm) histone deacetylase 7A 0.0430541 0.972091 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0246857 0.491149 0.50525
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Schistosoma mansoni histone deacetylase 0.0340274 0.735743 0.735743
Brugia malayi histone deacetylase 3 (HD3) 0.0340274 0.735743 0.756866
Echinococcus multilocularis aldo keto reductase 0.0246857 0.491149 0.464943
Trypanosoma cruzi aldo-keto reductase 0.0246857 0.491149 0.479
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.735743 1
Trypanosoma brucei histone deacetylase 1 0.0340274 0.735743 0.743966
Trypanosoma brucei aldo-keto reductase, putative 0.0246857 0.491149 0.479
Echinococcus granulosus histone deacetylase 6 0.0430541 0.972091 0.970654
Echinococcus granulosus histone deacetylase 3 0.0340274 0.735743 0.722134
Onchocerca volvulus 0.0246857 0.491149 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0246857 0.491149 0.50525
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Onchocerca volvulus Histone deacetylase 10 homolog 0.0175439 0.304151 0.577091
Schistosoma mansoni aldo-keto reductase 0.0246857 0.491149 0.491149
Loa Loa (eye worm) hypothetical protein 0.0112006 0.138064 0.102719
Schistosoma mansoni histone deacetylase 4 5 0.0430541 0.972091 0.972091
Brugia malayi aryl hydrocarbon receptor AHR-1 0.00966009 0.0977279 0.100534
Loa Loa (eye worm) hypothetical protein 0.00969295 0.0985884 0.0602498
Trypanosoma cruzi histone deacetylase, putative 0.0175439 0.304151 0.276427
Loa Loa (eye worm) hypothetical protein 0.0255102 0.512736 0.505806
Toxoplasma gondii histone deacetylase HDAC4 0.0175439 0.304151 0.276427
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Echinococcus multilocularis aldo keto reductase 0.0246857 0.491149 0.464943
Entamoeba histolytica aldose reductase, putative 0.0246857 0.491149 0.643846
Onchocerca volvulus 0.00811467 0.0572636 0.0187397
Entamoeba histolytica aldose reductase, putative 0.0246857 0.491149 0.643846
Brugia malayi Histone deacetylase family protein 0.0430541 0.972091 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0246857 0.491149 0.643846
Mycobacterium tuberculosis Probable oxidoreductase 0.0246857 0.491149 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0156206 0.253793 0.253793
Echinococcus multilocularis aryl hydrocarbon receptor 0.0112335 0.138924 0.0945789
Onchocerca volvulus 0.0246857 0.491149 1
Schistosoma mansoni histone deacetylase 0.0340274 0.735743 0.735743
Echinococcus granulosus histone deacetylase 6 0.04412 1 1
Echinococcus granulosus histone deacetylase 1 0.0340274 0.735743 0.722134
Plasmodium vivax histone deacetylase, putative 0.0430541 0.972091 1
Leishmania major histone deacetylase, putative 0.0340274 0.735743 0.743966
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Loa Loa (eye worm) histone deacetylase 1 0.0340274 0.735743 0.745727
Giardia lamblia Histone deacetylase 0.0340274 0.735743 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0246857 0.491149 0.643846
Echinococcus granulosus histone deacetylase 6 0.0430541 0.972091 0.970654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0340274 0.735743 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Trypanosoma brucei histone deacetylase, putative 0.0430541 0.972091 1
Schistosoma mansoni aldo-keto reductase 0.0246857 0.491149 0.491149
Echinococcus granulosus aldo keto reductase 0.0246857 0.491149 0.464943
Brugia malayi histone deacetylase 11 0.0175439 0.304151 0.312883
Brugia malayi Histone deacetylase 1 0.0340274 0.735743 0.756866
Trypanosoma cruzi histone deacetylase 1, putative 0.0340274 0.735743 0.743966
Plasmodium vivax histone deacetylase 1, putative 0.0340274 0.735743 0.743966
Onchocerca volvulus 0.00811467 0.0572636 0.0187397
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Echinococcus granulosus aryl hydrocarbon receptor 0.0112335 0.138924 0.0945789
Echinococcus granulosus aldehyde reductase 0.0168876 0.286967 0.250246
Trypanosoma brucei prostaglandin f synthase 0.0246857 0.491149 0.479
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Trichomonas vaginalis aldo-keto reductase, putative 0.0246857 0.491149 0.643846
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Echinococcus granulosus aldo keto reductase 0.0246857 0.491149 0.464943
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Loa Loa (eye worm) hypothetical protein 0.0246857 0.491149 0.482583
Trichomonas vaginalis aldo/keto reductase, putative 0.0246857 0.491149 0.643846
Echinococcus multilocularis histone deacetylase 1 0.0340274 0.735743 0.722134
Echinococcus multilocularis histone deacetylase 6 0.0430541 0.972091 0.970654
Echinococcus granulosus hypothetical protein 0.0246857 0.491149 0.464943
Echinococcus multilocularis histone deacetylase 6 0.04412 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0246857 0.491149 0.479
Echinococcus multilocularis histone deacetylase 3 0.0340274 0.735743 0.722134
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Entamoeba histolytica histone deacetylase, putative 0.0340274 0.735743 1
Toxoplasma gondii histone deacetylase HDAC2 0.0340274 0.735743 0.743966
Echinococcus granulosus histone deacetylase 7 0.0430541 0.972091 0.970654
Leishmania major prostaglandin f synthase, putative 0.0246857 0.491149 0.479
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0246857 0.491149 0.479
Loa Loa (eye worm) oxidoreductase 0.0246857 0.491149 0.482583
Plasmodium falciparum histone deacetylase 1 0.0340274 0.735743 0.743966
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0246857 0.491149 0.464943
Plasmodium falciparum histone deacetylase, putative 0.0430541 0.972091 1
Brugia malayi Cation transporter family protein 0.00811467 0.0572636 0.0589077
Schistosoma mansoni histone deacetylase hda2 0.0175439 0.304151 0.304151
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0077982 0.0489774 0.0503836
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0246857 0.491149 0.464943
Loa Loa (eye worm) hypothetical protein 0.00811467 0.0572636 0.0157909
Trichomonas vaginalis histone deacetylase, putative 0.0340274 0.735743 1
Loa Loa (eye worm) oxidoreductase 0.0246857 0.491149 0.482583
Mycobacterium ulcerans oxidoreductase 0.0246857 0.491149 1
Trypanosoma cruzi histone deacetylase, putative 0.0430541 0.972091 1
Onchocerca volvulus 0.0246857 0.491149 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0246857 0.491149 0.50525

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3200 ng/ml Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 infected in African green monkey (Cercopithecus aethiops) Vero cells assessed as parasite LDH activity after 72 hrs by Malstat reagent method ChEMBL. 19914074
IC50 (functional) = 3350 ng/ml Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 infected in African green monkey (Cercopithecus aethiops) Vero cells assessed as parasite LDH activity after 72 hrs by Malstat reagent method ChEMBL. 19914074
IC50 (binding) = 147.7 nM Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay ChEMBL. 19914074
IC50 (functional) = 20 ug ml-1 Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs by alamar blue assay ChEMBL. 19914074
IC90 (functional) = 40 ug ml-1 Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs by alamar blue assay ChEMBL. 19914074

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19914074

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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