Detailed information for compound 450675

Basic information

Technical information
  • TDR Targets ID: 450675
  • Name: N'-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)ph enyl]octanediamide
  • MW: 361.392 | Formula: C18H23N3O5
  • H donors: 3 H acceptors: 4 LogP: 1.64 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(c(c1)OC)c1cnco1
  • InChi: 1S/C18H23N3O5/c1-25-15-10-13(8-9-14(15)16-11-19-12-26-16)20-17(22)6-4-2-3-5-7-18(23)21-24/h8-12,24H,2-7H2,1H3,(H,20,22)(H,21,23)
  • InChiKey: ZAYLUWNMUDXEOV-UHFFFAOYSA-N  


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Synonyms

  • 8-(hydroxyamino)-N-(3-methoxy-4-oxazol-5-yl-phenyl)-8-oxo-octanamide
  • 8-(hydroxyamino)-N-[3-methoxy-4-(5-oxazolyl)phenyl]-8-oxooctanamide
  • 8-(hydroxyamino)-8-keto-N-(3-methoxy-4-oxazol-5-yl-phenyl)caprylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens IMP (inosine 5'-monophosphate) dehydrogenase 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens IMP (inosine 5'-monophosphate) dehydrogenase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 6 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Cryptosporidium hominis hypothetical protein 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
Schistosoma mansoni histone deacetylase 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 brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
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 inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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 multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense inosine-5-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania braziliensis histone deacetylase, 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 cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium knowlesi histone deacetylase 1, 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
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein Get druggable targets OG5_126887 All targets in OG5_126887
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi 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
Candida albicans N terminus of Inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Loa Loa (eye worm) hypothetical protein 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 histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania braziliensis guanosine monophosphate reductase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 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
Theileria parva 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
Loa Loa (eye worm) histone deacetylase 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 mexicana 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
Leishmania major guanosine monophosphate reductase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Loa Loa (eye worm) 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
Leishmania braziliensis 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
Trypanosoma cruzi GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium yoelii 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 mexicana guanosine monophosphate reductase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium vivax histone deacetylase 2, 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
Candida albicans guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 Get druggable targets OG5_126887 All targets in OG5_126887
Toxoplasma gondii IMP dehydrogenas Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 Get druggable targets OG5_126887 All targets in OG5_126887
Trichomonas vaginalis histone deacetylase, putative 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
Theileria parva 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
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Brugia malayi histone deacetylase 3 (HD3) 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
Leishmania infantum 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
Cryptosporidium hominis inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus granulosus histone deacetylase 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
Leishmania infantum inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
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 cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva Inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma congolense GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein 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 congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani 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 GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
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
Schistosoma mansoni histone deacetylase 4 5 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
Leishmania donovani inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
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 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
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus granulosus histone deacetylase 1 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
Loa Loa (eye worm) histone deacetylase 1 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
Schistosoma japonicum Histone deacetylase 10, putative 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
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_126654 All targets in OG5_126654
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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 donovani 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
Neospora caninum histone deacetylase, 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 mansoni histone deacetylase 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
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium falciparum histone deacetylase 2 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
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
Trypanosoma brucei 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
Candida albicans N terminus of Inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Neospora caninum hypothetical protein Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania braziliensis inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania infantum guanosine monophosphate reductase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Schistosoma mansoni histone deacetylase hda2 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
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus multilocularis histone deacetylase 6 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
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Loa Loa (eye worm) IMP dehydrogenase 1 Get druggable targets OG5_126887 All targets in OG5_126887
Babesia bovis inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) Get druggable targets OG5_126887 All targets in OG5_126887
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
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
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
Cryptosporidium parvum inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase 2, 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 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], putative Get druggable targets OG5_126887 All targets in OG5_126887
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi 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
Babesia bovis histone deacetylase 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
Toxoplasma gondii histone deacetylase HDAC1 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
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
Plasmodium vivax histone deacetylase 1, putative 0.0311 0.8816 0.8811
Leishmania major histone deacetylase, putative 0.0311 0.8816 0.8453
Schistosoma mansoni histone deacetylase 0.0311 0.8816 0.8474
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8816 0.5
Onchocerca volvulus Histone deacetylase 10 homolog 0.0146 0.2241 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.019 0.3969 0.2315
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.8816 0.5
Echinococcus multilocularis histone deacetylase 3 0.0311 0.8816 0.8474
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.9703 0.9617
Toxoplasma gondii histone deacetylase HDAC2 0.0311 0.8816 0.8811
Loa Loa (eye worm) histone deacetylase 3 0.0311 0.8816 0.8811
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.019 0.3969 0.2315
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.019 0.3969 0.2227
Echinococcus granulosus histone deacetylase 3 0.0311 0.8816 0.8474
Plasmodium falciparum histone deacetylase, putative 0.0333 0.9703 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.4169 0.2583
Echinococcus multilocularis histone deacetylase 7 0.0333 0.9703 0.9617
Echinococcus granulosus histone deacetylase 7 0.0333 0.9703 0.9617
Trypanosoma brucei histone deacetylase 4 0.0333 0.9703 1
Echinococcus granulosus histone deacetylase 6 0.0333 0.9703 0.9617
Trypanosoma brucei histone deacetylase 1 0.0311 0.8816 0.8811
Leishmania major histone deacetylase, putative 0.0333 0.9703 1
Brugia malayi histone deacetylase 1 (HD1) 0.0311 0.8816 0.8811
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8816 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.8816 0.8811
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.9703 0.9617
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8816 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0311 0.8816 0.8811
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.019 0.3969 0.2315
Trypanosoma cruzi GMP reductase 0.019 0.3969 0.2315
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.019 0.3969 0.5
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.019 0.3969 0.2227
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.019 0.3969 0.2315
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8816 0.5
Toxoplasma gondii IMP dehydrogenas 0.019 0.3969 0.2315
Loa Loa (eye worm) IMP dehydrogenase 1 0.019 0.3969 0.2315
Plasmodium vivax histone deacetylase, putative 0.0333 0.9703 1
Echinococcus granulosus histone deacetylase 1 0.0311 0.8816 0.8474
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0178 0.352 0.1714
Loa Loa (eye worm) histone deacetylase 7A 0.0333 0.9703 1
Brugia malayi Histone deacetylase 1 0.0311 0.8816 0.8811
Echinococcus multilocularis histone deacetylase 1 0.0311 0.8816 0.8474
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.019 0.3969 1
Loa Loa (eye worm) histone deacetylase 0.0333 0.9703 1
Toxoplasma gondii histone deacetylase HDAC3 0.0311 0.8816 0.8811
Echinococcus multilocularis histone deacetylase 0.0333 0.9703 0.9617
Trypanosoma cruzi GMP reductase 0.019 0.3969 0.2315
Loa Loa (eye worm) hypothetical protein 0.0311 0.8816 0.8811
Brugia malayi Histone deacetylase family protein 0.0333 0.9703 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.8816 0.8811
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.9703 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0178 0.352 0.8869
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.019 0.3969 1
Entamoeba histolytica histone deacetylase, putative 0.0311 0.8816 0.5
Loa Loa (eye worm) hypothetical protein 0.0187 0.3872 0.2185
Leishmania major histone deacetylase, putative 0.0311 0.8816 0.8453
Leishmania major histone deacetylase, putative 0.0333 0.9703 1
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8816 0.5
Trypanosoma brucei GMP reductase 0.019 0.3969 0.2315
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.019 0.3969 0.2227
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.8816 0.5
Brugia malayi histone deacetylase 3 (HD3) 0.0311 0.8816 0.8811
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.9703 1
Plasmodium falciparum histone deacetylase 1 0.0311 0.8816 0.8565
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.9703 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.8816 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.8816 0.5
Echinococcus multilocularis histone deacetylase 6 0.0333 0.9703 0.9617
Plasmodium vivax histone deacetylase 2, putative 0.0333 0.9703 1
Echinococcus granulosus histone deacetylase 0.0333 0.9703 0.9617
Toxoplasma gondii histone deacetylase HDAC1 0.0333 0.9703 1
Trypanosoma brucei histone deacetylase, putative 0.0333 0.9703 1
Trypanosoma brucei histone deacetylase 3 0.0333 0.9703 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.019 0.3969 0.2315
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.01 0.0379 0.0954
Echinococcus multilocularis histone deacetylase 6 0.0341 1 1
Schistosoma mansoni histone deacetylase 0.0311 0.8816 0.8474
Schistosoma mansoni histone deacetylase hda2 0.0341 1 1
Brugia malayi Histone deacetylase family protein 0.0333 0.9703 1
Plasmodium falciparum histone deacetylase 2 0.0333 0.9703 1
Echinococcus granulosus histone deacetylase 6 0.0333 0.9703 0.9617
Echinococcus multilocularis histone deacetylase 6 0.0333 0.9703 0.9617
Giardia lamblia Histone deacetylase 0.0311 0.8816 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.019 0.3969 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 87.8 % Differentiation of K562 cells at 0.005 uM after 5 days by MTS assay ChEMBL. 18038969
Activity (functional) = 87.8 % Differentiation of K562 cells at 0.005 uM after 5 days by MTS assay ChEMBL. 18038969
IC50 (binding) = 0.06 uM Inhibition of HDAC ChEMBL. 18038969
IC50 (binding) = 0.06 uM Inhibition of HDAC ChEMBL. 18038969
IC50 (functional) = 0.29 uM Antiproliferative activity against human K562 cells after 72 hrs by MTS assay ChEMBL. 18038969
IC50 (functional) = 0.29 uM Antiproliferative activity against human K562 cells after 72 hrs by MTS assay ChEMBL. 18038969
Ki (binding) = 1.7 uM Inhibition of human IMPDH 2 ChEMBL. 18038969
Ki (binding) = 1.7 uM Inhibition of human IMPDH 2 ChEMBL. 18038969
Ki (binding) = 5 uM Inhibition of human IMPDH 1 ChEMBL. 18038969
Ki (binding) = 5 uM Inhibition of human IMPDH 1 ChEMBL. 18038969

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18038969

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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