Detailed information for compound 1792117

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 648.699 | Formula: C35H40N2O10
  • H donors: 4 H acceptors: 4 LogP: 5.1 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: ONC(=O)CCCCCCCOc1ccccc1N[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](c2c1cc1OCOc1c2)c1cc(OC)c(c(c1)OC)O
  • InChi: 1S/C35H40N2O10/c1-42-28-14-20(15-29(43-2)34(28)39)31-21-16-26-27(47-19-46-26)17-22(21)33(23-18-45-35(40)32(23)31)36-24-10-7-8-11-25(24)44-13-9-5-3-4-6-12-30(38)37-41/h7-8,10-11,14-17,23,31-33,36,39,41H,3-6,9,12-13,18-19H2,1-2H3,(H,37,38)/t23-,31+,32-,33+/m0/s1
  • InChiKey: DTJYXVIPQULTRZ-HYYVTZFESA-N  


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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 3 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
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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
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
Trichomonas vaginalis histone deacetylase, 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
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 1 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 brucei 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
Entamoeba histolytica 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
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
Schistosoma mansoni histone deacetylase 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 multilocularis histone deacetylase 3 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
Plasmodium knowlesi 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
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase 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
Leishmania braziliensis 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
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
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
Neospora caninum hypothetical protein 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
Brugia malayi Histone deacetylase 1 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
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
Trichomonas vaginalis histone deacetylase, 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 3 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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase 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
Trichomonas vaginalis 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0619 0.0619
Schistosoma mansoni pyruvate kinase 0.0053 0.0206 0.0206
Trypanosoma cruzi histone deacetylase, putative 0.0129 0.0932 0.0344
Echinococcus granulosus pyruvate kinase 0.0053 0.0206 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0619 0.0619
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0217 0.1039
Echinococcus granulosus histone deacetylase 8 0.0095 0.0609 0.0609
Schistosoma mansoni hypothetical protein 0.0359 0.3118 0.3118
Chlamydia trachomatis pyruvate kinase 0.0103 0.0681 0.5
Brugia malayi Histone deacetylase 1 0.0251 0.2089 1
Onchocerca volvulus 0.0246 0.2044 0.2044
Brugia malayi Pyruvate kinase, M2 isozyme 0.0103 0.0681 0.3262
Loa Loa (eye worm) hypothetical protein 0.1066 0.9826 0.9826
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0463 0.4098 0.3715
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0038 0.0038
Onchocerca volvulus Pyruvate kinase homolog 0.0103 0.0681 0.0681
Plasmodium vivax histone deacetylase 1, putative 0.0251 0.2089 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1066 0.9826 0.9815
Echinococcus granulosus pyruvate kinase 0.0053 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.1084 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0251 0.2089 0.1576
Schistosoma mansoni histone deacetylase 1 2 3 0.0095 0.0609 0.0609
Echinococcus multilocularis pyruvate kinase 0.0053 0.0206 0.0206
Trypanosoma brucei pyruvate kinase 1, putative 0.0103 0.0681 0.0077
Plasmodium falciparum histone deacetylase, putative 0.0129 0.0932 0.3855
Echinococcus granulosus histone deacetylase 0.0129 0.0932 0.0932
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1084 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0129 0.0932 0.0932
Leishmania major histone deacetylase, putative 0.0251 0.2089 0.151
Trypanosoma cruzi pyruvate kinase 2, putative 0.0103 0.0681 0.0077
Echinococcus multilocularis pyruvate kinase 0.0053 0.0206 0.0206
Toxoplasma gondii histone deacetylase HDAC2 0.0251 0.2089 1
Brugia malayi Pre-SET motif family protein 0.0216 0.176 0.8427
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0031 0.0001 0.0003
Loa Loa (eye worm) histone deacetylase 3 0.0251 0.2089 0.2089
Echinococcus granulosus geminin 0.0359 0.3118 0.3118
Echinococcus granulosus pyruvate kinase 0.0103 0.0681 0.0681
Leishmania major histone deacetylase, putative 0.0129 0.0932 0.0269
Schistosoma mansoni histone deacetylase 0.0251 0.2089 0.2089
Schistosoma mansoni histone deacetylase 0.0251 0.2089 0.2089
Brugia malayi Histone deacetylase family protein 0.0129 0.0932 0.4461
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0217 0.0217
Schistosoma mansoni hypothetical protein 0.0037 0.0055 0.0055
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0055 0.0264
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0103 0.0681 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0273 0.0273
Schistosoma mansoni pyruvate kinase 0.0103 0.0681 0.0681
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.002 0.002
Trypanosoma brucei histone deacetylase 3 0.0129 0.0932 0.0344
Echinococcus multilocularis histone deacetylase 6 0.0129 0.0932 0.0932
Plasmodium falciparum histone deacetylase 2 0.0129 0.0932 0.3855
Onchocerca volvulus 0.1084 1 1
Echinococcus granulosus histone deacetylase 1 0.0251 0.2089 0.2089
Trichomonas vaginalis histone deacetylase, putative 0.0251 0.2089 1
Schistosoma mansoni histone deacetylase hda2 0.0095 0.0609 0.0609
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.002 0.002
Echinococcus granulosus histone deacetylase 6 0.0129 0.0932 0.0932
Echinococcus granulosus histone deacetylase 6 0.0129 0.0932 0.0932
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1084 1 1
Echinococcus multilocularis histone deacetylase 6 0.0137 0.1003 0.1003
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1084 1 1
Loa Loa (eye worm) pyruvate kinase 0.0103 0.0681 0.0681
Echinococcus multilocularis histone deacetylase 3 0.0251 0.2089 0.2089
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0606 0.0606
Loa Loa (eye worm) hypothetical protein 0.0041 0.0099 0.0099
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1084 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0619 0.0619
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.064 0.5781 1
Toxoplasma gondii pyruvate kinase PyK1 0.0103 0.0681 0.3262
Brugia malayi Histone deacetylase family protein 0.0129 0.0932 0.4461
Trypanosoma cruzi histone deacetylase, putative 0.0129 0.0932 0.0344
Loa Loa (eye worm) hypothetical protein 0.0072 0.0386 0.0386
Echinococcus granulosus jumonji domain containing protein 0.004 0.0088 0.0088
Loa Loa (eye worm) pyruvate kinase 0.0103 0.0681 0.0681
Onchocerca volvulus Pyruvate kinase homolog 0.0103 0.0681 0.0681
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0251 0.2089 1
Trichomonas vaginalis histone deacetylase, putative 0.0251 0.2089 1
Trichomonas vaginalis histone deacetylase, putative 0.0251 0.2089 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0088 0.0088
Echinococcus multilocularis histone deacetylase 0.0129 0.0932 0.0932
Brugia malayi jmjC domain containing protein 0.0035 0.0038 0.0183
Loa Loa (eye worm) hypothetical protein 0.005 0.0177 0.0177
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0463 0.4098 0.3715
Leishmania major histone deacetylase, putative 0.0251 0.2089 0.151
Toxoplasma gondii histone deacetylase HDAC3 0.0251 0.2089 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1066 0.9826 0.9814
Plasmodium vivax histone deacetylase 2, putative 0.0129 0.0932 0.4461
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0217 0.1039
Giardia lamblia Histone deacetylase 0.0251 0.2089 0.3377
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0038 0.0038
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1084 1 1
Brugia malayi histone deacetylase 11 0.0095 0.0609 0.2915
Giardia lamblia Pyruvate kinase 0.0103 0.0681 0.0852
Loa Loa (eye worm) pyruvate kinase-PB 0.0072 0.0386 0.0386
Plasmodium vivax pyruvate kinase, putative 0.0103 0.0681 0.3262
Trypanosoma cruzi pyruvate kinase 2, putative 0.0103 0.0681 0.0077
Loa Loa (eye worm) histone deacetylase 7A 0.0129 0.0932 0.0932
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1066 0.9826 0.9815
Brugia malayi Pyruvate kinase, muscle isozyme 0.0103 0.0681 0.3262
Loa Loa (eye worm) pyruvate kinase 0.0103 0.0681 0.0681
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0421 0.0421
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0038 0.0038
Toxoplasma gondii histone deacetylase HDAC5 0.0095 0.0609 0.2915
Echinococcus multilocularis pyruvate kinase 0.0053 0.0206 0.0206
Loa Loa (eye worm) histone deacetylase 0.0129 0.0932 0.0932
Loa Loa (eye worm) histone deacetylase 1 0.0251 0.2089 0.2089
Echinococcus multilocularis pyruvate kinase 0.0103 0.0681 0.0681
Echinococcus multilocularis histone deacetylase 1 0.0251 0.2089 0.2089
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0251 0.2089 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0095 0.0609 0.0609
Onchocerca volvulus Pyruvate kinase homolog 0.0103 0.0681 0.0681
Schistosoma mansoni pyruvate kinase 0.0103 0.0681 0.0681
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0619 0.0619
Entamoeba histolytica histone deacetylase, putative 0.0251 0.2089 0.3591
Trypanosoma brucei histone deacetylase 4 0.0129 0.0932 0.0344
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.176 0.176
Loa Loa (eye worm) hypothetical protein 0.0251 0.2089 0.2089
Giardia lamblia Hypothetical protein 0.064 0.5781 1
Loa Loa (eye worm) histone deacetylase 11 0.0095 0.0609 0.0609
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0606 0.0606
Brugia malayi histone deacetylase 3 (HD3) 0.0251 0.2089 1
Echinococcus multilocularis histone deacetylase 8 0.0095 0.0609 0.0609
Trypanosoma cruzi histone deacetylase 1, putative 0.0251 0.2089 0.1576
Loa Loa (eye worm) hypothetical protein 0.0621 0.5607 0.5607
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0619 0.0619
Toxoplasma gondii histone deacetylase HDAC1 0.0129 0.0932 0.4461
Loa Loa (eye worm) hypothetical protein 0.0103 0.0681 0.0681
Trichomonas vaginalis histone deacetylase, putative 0.0251 0.2089 1
Echinococcus multilocularis pyruvate kinase 0.0081 0.0476 0.0476
Trypanosoma brucei histone deacetylase, putative 0.0129 0.0932 0.0344
Echinococcus multilocularis pyruvate kinase 0.0103 0.0681 0.0681
Echinococcus multilocularis histone deacetylase 7 0.0129 0.0932 0.0932
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0463 0.4098 0.3667
Plasmodium vivax histone deacetylase, putative 0.0129 0.0932 0.4461
Echinococcus granulosus pyruvate kinase 0.0103 0.0681 0.0681
Mycobacterium ulcerans hypothetical protein 0.064 0.5781 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0038 0.0038
Brugia malayi hypothetical protein 0.0033 0.002 0.0097
Trypanosoma brucei histone deacetylase 1 0.0251 0.2089 0.1576
Echinococcus granulosus pyruvate kinase 0.0053 0.0206 0.0206
Echinococcus multilocularis geminin 0.0359 0.3118 0.3118
Brugia malayi jmjC domain containing protein 0.0095 0.0606 0.2902
Echinococcus granulosus histone deacetylase 6 0.0137 0.1003 0.1003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0619 0.0619
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.064 0.5781 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0251 0.2089 1
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.002 0.002
Plasmodium falciparum histone deacetylase 1 0.0251 0.2089 1
Trypanosoma brucei pyruvate kinase 1 0.0103 0.0681 0.0077
Echinococcus granulosus histone deacetylase 7 0.0129 0.0932 0.0932
Trichomonas vaginalis set domain proteins, putative 0.0246 0.2044 0.9683
Loa Loa (eye worm) hypothetical protein 0.0037 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0054 0.0217 0.0217
Schistosoma mansoni histone deacetylase 4 5 0.0129 0.0932 0.0932
Schistosoma mansoni hypothetical protein 0.0359 0.3118 0.3118
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0038 0.0038
Plasmodium vivax pyruvate kinase 2, putative 0.0053 0.0206 0.0987
Echinococcus granulosus histone deacetylase 3 0.0251 0.2089 0.2089
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0619 0.2962
Plasmodium vivax histone deacetylase, putative 0.0095 0.0609 0.2915
Loa Loa (eye worm) hypothetical protein 0.0034 0.0028 0.0028
Plasmodium falciparum pyruvate kinase 0.0103 0.0681 0.2524
Toxoplasma gondii pyruvate kinase PyKII 0.0053 0.0206 0.0987
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0619 0.0619
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0463 0.4098 0.3715
Trichomonas vaginalis histone deacetylase, putative 0.0251 0.2089 1
Schistosoma mansoni hypothetical protein 0.0033 0.002 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0619 0.0619
Leishmania major histone deacetylase, putative 0.0129 0.0932 0.0269
Schistosoma mansoni histone deacetylase hda2 0.0137 0.1003 0.1003
Trichomonas vaginalis histone deacetylase, putative 0.0251 0.2089 1
Echinococcus multilocularis histone deacetylase 6 0.0129 0.0932 0.0932
Loa Loa (eye worm) hypothetical protein 0.0095 0.0609 0.0609
Trypanosoma cruzi histone deacetylase, putative 0.0129 0.0932 0.0344
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1066 0.9826 0.9815
Mycobacterium leprae Probable pyruvate kinase PykA 0.0103 0.0681 0.5
Toxoplasma gondii histone deacetylase HDAC4 0.0095 0.0609 0.2915
Schistosoma mansoni 6-phosphofructokinase 0.1084 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0072 0.0386 0.0635
Brugia malayi histone deacetylase 1 (HD1) 0.0251 0.2089 1
Giardia lamblia Hypothetical protein 0.064 0.5781 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 175 nM Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 3 to 24 hrs by fluorescence assay ChEMBL. 24095018
IC50 (binding) = 217 nM Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 3 to 24 hrs by fluorescence assay ChEMBL. 24095018
IC50 (functional) = 11.35 uM Antiproliferative activity against human HCT116 cells assessed as cell viability after 72 hrs by MTT assay ChEMBL. 24095018
IC50 (binding) = 217 uM Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect high5 cells using Boc-Lys (epsilon-acetyl)-AM) as substrate after 3 to 24 hrs by fluorescence assay ChEMBL. 24095018

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24095018

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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