Detailed information for compound 1130433

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.521 | Formula: C24H30N4O2
  • H donors: 2 H acceptors: 3 LogP: 3.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)/C=C/c1cccc(c1)c1nc2c(n1CCN(C(C)C)C(C)C)cccc2
  • InChi: 1S/C24H30N4O2/c1-17(2)27(18(3)4)14-15-28-22-11-6-5-10-21(22)25-24(28)20-9-7-8-19(16-20)12-13-23(29)26-30/h5-13,16-18,30H,14-15H2,1-4H3,(H,26,29)/b13-12+
  • InChiKey: ZFXDDPBJDDKNMX-OUKQBFOZSA-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 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis histone deacetylase, 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 3 (HD3) 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 mexicana histone deacetylase, 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
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
Plasmodium vivax 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
Theileria parva 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
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii 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
Cryptosporidium hominis histone deacetylase 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
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein 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
Loa Loa (eye worm) hypothetical protein 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
Toxoplasma gondii histone deacetylase HDAC1 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 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
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Entamoeba histolytica histone deacetylase, 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
Leishmania braziliensis 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
Brugia malayi histone deacetylase 1 (HD1) 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
Trypanosoma congolense 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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 major 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
Cryptosporidium hominis 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
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
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC2 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 infantum histone deacetylase, 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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, 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
Plasmodium knowlesi histone deacetylase, 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
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
Trichomonas vaginalis histone deacetylase, 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
Schistosoma japonicum Histone deacetylase 4, 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 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
Plasmodium berghei histone deacetylase 1, 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
Schistosoma mansoni histone deacetylase 4 5 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
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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 multilocularis histone deacetylase 1 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
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, 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 vivax histone deacetylase 1, 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
Leishmania donovani 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
Brugia malayi Histone deacetylase 1 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
Theileria parva 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 hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 2, 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
Babesia bovis histone deacetylase 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
Leishmania braziliensis 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
Echinococcus multilocularis histone deacetylase 3 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
Trypanosoma brucei histone deacetylase 3 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
Trichomonas vaginalis histone deacetylase, putative 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Giardia lamblia 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 cruzi histone deacetylase 1, 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
Leishmania infantum 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus 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
Trypanosoma brucei 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
Leishmania braziliensis 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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) histone deacetylase 3 0.0113 0.6501 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.1007 0.4065
Brugia malayi Histone deacetylase 1 0.0113 0.6501 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.1103 0.6242
Loa Loa (eye worm) histone deacetylase 11 0.0058 0.3096 0.4681
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0575 0.3255
Trypanosoma cruzi histone deacetylase, putative 0.0092 0.5204 0.619
Schistosoma mansoni histone deacetylase hda2 0.01 0.5666 0.5622
Trypanosoma cruzi histone deacetylase 1, putative 0.0113 0.6501 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0445 0.0539
Schistosoma mansoni hypothetical protein 0.017 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0445 0.0348
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0987 0.1386
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.1103 0.481
Schistosoma mansoni histone deacetylase 0.0113 0.6501 0.6466
Trypanosoma cruzi histone deacetylase, putative 0.0092 0.5204 0.619
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.2459 0.2383
Onchocerca volvulus Histone deacetylase 10 homolog 0.0058 0.3096 1
Trypanosoma brucei histone deacetylase 3 0.0092 0.5204 0.619
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0708 0.172
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0445 0.0348
Loa Loa (eye worm) hypothetical protein 0.005 0.2547 0.3822
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.1007 0.5702
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.2459 0.3685
Schistosoma mansoni hypothetical protein 0.0016 0.0445 0.0348
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.1767 1
Echinococcus granulosus histone deacetylase 1 0.0113 0.6501 0.6466
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.2382 0.3565
Toxoplasma gondii histone deacetylase HDAC3 0.0113 0.6501 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0565 0.0507
Trichomonas vaginalis histone deacetylase, putative 0.0113 0.6501 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2547 0.3822
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0113 0.6501 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.0093 0.0527
Schistosoma mansoni histone deacetylase hda2 0.0058 0.3096 0.3026
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0752 0.2064
Toxoplasma gondii histone deacetylase HDAC4 0.0058 0.3096 0.4555
Echinococcus multilocularis histone deacetylase 6 0.0092 0.5204 0.5156
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0907 0.126
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0113 0.6501 0.5
Echinococcus multilocularis geminin 0.017 1 1
Echinococcus multilocularis histone deacetylase 3 0.0113 0.6501 0.6466
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.096 0.5436
Toxoplasma gondii histone deacetylase HDAC2 0.0113 0.6501 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.6501 1
Mycobacterium ulcerans polyketide synthase 0.0026 0.1103 0.481
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.1007 0.4065
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.1007 0.4065
Trichomonas vaginalis histone deacetylase, putative 0.0113 0.6501 0.5
Plasmodium vivax histone deacetylase, putative 0.0092 0.5204 0.619
Plasmodium vivax histone deacetylase 2, putative 0.0092 0.5204 0.619
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.1767 1
Brugia malayi Histone deacetylase family protein 0.0092 0.5204 0.7974
Echinococcus multilocularis histone deacetylase 7 0.0092 0.5204 0.5156
Echinococcus granulosus histone deacetylase 6 0.0092 0.5204 0.5156
Loa Loa (eye worm) hypothetical protein 0.0034 0.158 0.2312
Toxoplasma gondii histone deacetylase HDAC5 0.0058 0.3096 0.4555
Loa Loa (eye worm) hypothetical protein 0.0058 0.3096 0.4681
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0468 0.0352
Trypanosoma brucei histone deacetylase 1 0.0113 0.6501 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0907 0.126
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.2459 0.2383
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.1103 0.481
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.1103 0.6242
Echinococcus multilocularis histone deacetylase 0.0092 0.5204 0.5156
Brugia malayi histone deacetylase 1 (HD1) 0.0113 0.6501 1
Trichomonas vaginalis histone deacetylase, putative 0.0113 0.6501 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0092 0.5204 0.619
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.1103 0.6242
Trichomonas vaginalis histone deacetylase, putative 0.0113 0.6501 0.5
Trypanosoma brucei histone deacetylase, putative 0.0092 0.5204 0.619
Echinococcus multilocularis histone deacetylase 6 0.01 0.5666 0.5622
Brugia malayi histone deacetylase 3 (HD3) 0.0113 0.6501 1
Echinococcus multilocularis histone deacetylase 1 0.0113 0.6501 0.6466
Echinococcus multilocularis histone deacetylase 8 0.0058 0.3096 0.3026
Loa Loa (eye worm) histone deacetylase 0.0092 0.5204 0.7974
Giardia lamblia Histone deacetylase 0.0113 0.6501 0.5
Leishmania major histone deacetylase, putative 0.0113 0.6501 1
Echinococcus granulosus GPCR family 2 0.0016 0.0445 0.0348
Echinococcus multilocularis GPCR, family 2 0.0016 0.0445 0.0348
Echinococcus granulosus histone deacetylase 6 0.0092 0.5204 0.5156
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0708 0.172
Loa Loa (eye worm) hypothetical protein 0.0041 0.2042 0.3033
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.1007 0.4065
Schistosoma mansoni histone deacetylase 1 2 3 0.0058 0.3096 0.3026
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0708 0.172
Echinococcus granulosus histone deacetylase 0.0092 0.5204 0.5156
Echinococcus granulosus histone deacetylase 3 0.0113 0.6501 0.6466
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.1007 0.5702
Echinococcus granulosus histone deacetylase 6 0.01 0.5666 0.5622
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0752 0.2064
Loa Loa (eye worm) hypothetical protein 0.0014 0.0332 0.0363
Schistosoma mansoni hypothetical protein 0.0034 0.1574 0.1489
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.2459 0.2383
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.2459 0.2383
Trypanosoma brucei histone deacetylase 4 0.0092 0.5204 0.619
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.096 0.5436
Echinococcus granulosus histone deacetylase 8 0.0058 0.3096 0.3026
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0728 0.4119
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.2459 0.2383
Echinococcus multilocularis histone deacetylase 6 0.0092 0.5204 0.5156
Mycobacterium ulcerans polyketide synthase 0.0025 0.1007 0.4065
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.1103 0.481
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.2459 0.3685
Trichomonas vaginalis histone deacetylase, putative 0.0113 0.6501 0.5
Brugia malayi histone deacetylase 11 0.0058 0.3096 0.4681
Entamoeba histolytica histone deacetylase, putative 0.0113 0.6501 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.1103 0.481
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0445 0.0348
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0445 0.0539
Trypanosoma cruzi histone deacetylase 1, putative 0.0113 0.6501 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.1103 0.481
Brugia malayi Histone deacetylase family protein 0.0092 0.5204 0.7974
Schistosoma mansoni hypothetical protein 0.0016 0.0445 0.0348
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1574 0.2302
Loa Loa (eye worm) histone deacetylase 7A 0.0092 0.5204 0.7974
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0907 0.5131
Schistosoma mansoni histone deacetylase 4 5 0.0092 0.5204 0.5156
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.1767 1
Schistosoma mansoni hypothetical protein 0.0016 0.0445 0.0348
Schistosoma mansoni histone deacetylase 4 5 0.0092 0.5204 0.5156
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2547 0.3822
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0752 0.4254
Loa Loa (eye worm) hypothetical protein 0.0016 0.0445 0.0539
Loa Loa (eye worm) histone deacetylase 1 0.0113 0.6501 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0113 0.6501 0.5
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.1767 1
Trichomonas vaginalis histone deacetylase, putative 0.0113 0.6501 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.2459 0.2383
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0345 0.1953
Schistosoma mansoni histone deacetylase 0.0113 0.6501 0.6466
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.224 0.7141
Onchocerca volvulus 0.0023 0.0907 0.2692
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0445 0.0539
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.2459 0.2383
Schistosoma mansoni hypothetical protein 0.0016 0.0445 0.0348
Toxoplasma gondii histone deacetylase HDAC1 0.0092 0.5204 0.7926
Mycobacterium ulcerans thioesterase 0.0021 0.0752 0.2064
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.1007 0.4065
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.1103 0.1367
Echinococcus granulosus histone deacetylase 7 0.0092 0.5204 0.5156
Plasmodium falciparum histone deacetylase 1 0.0113 0.6501 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2547 0.3822
Plasmodium vivax histone deacetylase 1, putative 0.0113 0.6501 1
Schistosoma mansoni hypothetical protein 0.017 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.2051 0.3048
Loa Loa (eye worm) acyl carrier protein 0.0011 0.0178 0.0122
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.1007 0.1417
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.1007 0.4065
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.1007 0.5702
Loa Loa (eye worm) hypothetical protein 0.0034 0.1574 0.2302
Leishmania major histone deacetylase, putative 0.0113 0.6501 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0445 0.0348
Onchocerca volvulus 0.0043 0.2144 0.6823

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3.1 uM Cytotoxicity against human PC3 cells assessed as NADH level after 72 hrs by MTS cells ChEMBL. 20392637
EC50 (functional) = 5 uM Cytotoxicity against human A549 cells assessed as NADH level after 72 hrs by MTS cells ChEMBL. 20392637
EC50 (functional) = 5 uM Cytotoxicity against human HL60 cells assessed as NADH level after 72 hrs by MTS cells ChEMBL. 20392637
IC50 (binding) = 40 nM Inhibition of human recombinant HDAC2 ChEMBL. 20392637
IC50 (binding) = 100 nM Inhibition of human recombinant HDAC6 ChEMBL. 20392637
IC50 (binding) = 200 nM Inhibition of human recombinant HDAC8 ChEMBL. 20392637

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20392637

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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