Detailed information for compound 1654407

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.436 | Formula: C22H24N2O5
  • H donors: 4 H acceptors: 4 LogP: 3.54 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCOc1ccc(c(c1)C(=O)Nc1cccc(c1)C#C)O
  • InChi: 1S/C22H24N2O5/c1-2-16-8-7-9-17(14-16)23-22(27)19-15-18(11-12-20(19)25)29-13-6-4-3-5-10-21(26)24-28/h1,7-9,11-12,14-15,25,28H,3-6,10,13H2,(H,23,27)(H,24,26)
  • InChiKey: ISLKJNNRZPTFNN-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 2 References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 References
Homo sapiens histone deacetylase 10 References
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein 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
Neospora caninum 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
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
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii hypothetical protein 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
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase 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
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Leishmania donovani histone deacetylase, 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
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
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
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Trichomonas vaginalis histone deacetylase, 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
Echinococcus multilocularis histone deacetylase 3 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 Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Plasmodium yoelii histone deacetylase 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
Leishmania infantum 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
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Plasmodium berghei histone deacetylase 1, 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
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) 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
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, 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
Cryptosporidium hominis histone deacetylase 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
Echinococcus granulosus histone deacetylase 7 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
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Trypanosoma congolense 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana 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
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase 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
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
Theileria parva 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 brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva hypothetical protein 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
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
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
Brugia malayi histone deacetylase 1 (HD1) 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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
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
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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 berghei histone deacetylase 2, 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
Leishmania braziliensis 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 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
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis histone deacetylase 6 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
Trypanosoma brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva hypothetical protein 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
Loa Loa (eye worm) histone deacetylase 7A 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
Schistosoma mansoni histone deacetylase 4 5 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 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni histone deacetylase 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 Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Cryptosporidium hominis 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 donovani 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 congolense histone deacetylase 4 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
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Leishmania donovani 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
Babesia bovis 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
Echinococcus granulosus histone deacetylase 6 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 major 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
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
Leishmania mexicana 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
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
Trichomonas vaginalis 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
Plasmodium vivax 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 japonicum Histone deacetylase 4, 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
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
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
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
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 %
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
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
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0104 0.0592 0.3421
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Loa Loa (eye worm) hypothetical protein 0.0026 0.0076 0.0408
Leishmania major histone deacetylase, putative 0.0212 0.1295 0.7098
Echinococcus granulosus histone deacetylase 6 0.0212 0.1295 0.6898
Mycobacterium tuberculosis Possible oxidoreductase 0.0104 0.0592 0.0558
Loa Loa (eye worm) hypothetical protein 0.0102 0.0577 0.3091
Schistosoma mansoni histone deacetylase 0.0274 0.1707 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0079 0.0299
Schistosoma mansoni tyrosine kinase 0.0097 0.0543 0.3129
Schistosoma mansoni zinc finger protein 0.0022 0.0052 0.0237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0198 0.0943
Schistosoma mansoni dihydropteridine reductase 0.0104 0.0592 0.3421
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0274 0.1707 0.1677
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Leishmania major pteridine reductase 1 0.0104 0.0592 0.3207
Brugia malayi intermediate filament protein 0.0026 0.0079 0.0424
Schistosoma mansoni tyrosine kinase 0.0096 0.0536 0.3089
Brugia malayi histone deacetylase 11 0.011 0.0627 0.3358
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0104 0.0592 0.3171
Brugia malayi Histone deacetylase 1 0.0274 0.1707 0.9142
Brugia malayi PHD-finger family protein 0.0027 0.0089 0.0475
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.154 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0104 0.0592 0.3207
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0294 0.0258
Schistosoma mansoni lamin 0.0026 0.0079 0.0395
Brugia malayi CXXC zinc finger family protein 0.003 0.0103 0.0553
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0325 0.163
Trypanosoma cruzi histone deacetylase 1, putative 0.0274 0.1707 0.9374
Onchocerca volvulus Histone deacetylase 10 homolog 0.011 0.0627 1
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Giardia lamblia Histone deacetylase 0.0274 0.1707 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0104 0.0592 0.3171
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0024 0.007
Echinococcus multilocularis 0.0056 0.0274 0.1354
Echinococcus granulosus cpg binding protein 0.0033 0.0127 0.056
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0028 0.0152
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.0813 0.443
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0104 0.0592 0.3081
Loa Loa (eye worm) hypothetical protein 0.011 0.0627 0.3358
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0073 0.0262
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0104 0.0592 0.0558
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0104 0.0592 0.0558
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0293 0.0258
Schistosoma mansoni histone deacetylase hda2 0.0212 0.1295 0.7572
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0104 0.0592 0.3171
Loa Loa (eye worm) hypothetical protein 0.0299 0.1867 1
Echinococcus multilocularis histone deacetylase 1 0.0274 0.1707 0.9131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0198 0.0943
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0104 0.0592 0.3207
Plasmodium vivax histone deacetylase 1, putative 0.0274 0.1707 0.1677
Trypanosoma brucei oxidoreductase-like protein 0.0104 0.0592 0.3207
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0325 0.163
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.154 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0198 0.1061
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.1295 0.7572
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0293 0.0258
Echinococcus multilocularis histone deacetylase 6 0.0212 0.1295 0.6898
Echinococcus multilocularis muscleblind protein 1 0.0299 0.1867 1
Brugia malayi Bromodomain containing protein 0.0079 0.0428 0.2294
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0104 0.0592 0.0558
Loa Loa (eye worm) hypothetical protein 0.0102 0.0577 0.3091
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Schistosoma mansoni tyrosine kinase 0.0096 0.0536 0.3089
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Trypanosoma brucei histone deacetylase 4 0.0212 0.1295 0.7098
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0104 0.0592 0.0558
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0104 0.0592 0.0558
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.154 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.0813 0.443
Loa Loa (eye worm) histone deacetylase 0.0212 0.1295 0.6939
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0036 0.0132
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Toxoplasma gondii histone deacetylase HDAC3 0.0274 0.1707 0.1677
Trichomonas vaginalis histone deacetylase, putative 0.0274 0.1707 0.1677
Echinococcus multilocularis cpg binding protein 0.0033 0.0127 0.056
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0198 0.1096
Trypanosoma cruzi histone deacetylase 1, putative 0.0274 0.1707 0.9374
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Loa Loa (eye worm) hypothetical protein 0.0104 0.0592 0.3171
Mycobacterium tuberculosis Possible oxidoreductase 0.0104 0.0592 0.0558
Schistosoma mansoni ap endonuclease 0.0019 0.0036 0.014
Echinococcus granulosus epidermal growth factor receptor 0.018 0.1088 0.5775
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0036 0.0132
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.1088 0.583
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.1295 0.7098
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0028 0.0023
Loa Loa (eye worm) histone deacetylase 1 0.0274 0.1707 0.9142
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0274 0.1707 0.1677
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Schistosoma mansoni intermediate filament proteins 0.0026 0.0079 0.0395
Echinococcus multilocularis zinc finger protein 0.0022 0.0052 0.0153
Trypanosoma cruzi histone deacetylase, putative 0.011 0.0627 0.34
Leishmania major histone deacetylase, putative 0.0212 0.1295 0.7098
Plasmodium falciparum histone deacetylase 1 0.0274 0.1707 0.1677
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.1088 0.583
Loa Loa (eye worm) hypothetical protein 0.0026 0.0079 0.0424
Trichomonas vaginalis hypothetical protein 0.154 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0236 0.1238
Schistosoma mansoni hypothetical protein 0.0164 0.0981 0.5717
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0152 0.0695
Trypanosoma brucei histone deacetylase 2 0.011 0.0627 0.34
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0198 0.1061
Trichomonas vaginalis histone deacetylase, putative 0.0274 0.1707 0.1677
Trichomonas vaginalis histone deacetylase, putative 0.0274 0.1707 0.1677
Echinococcus granulosus lamin 0.0026 0.0079 0.0299
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0104 0.0592 0.3327
Echinococcus multilocularis lamin 0.0026 0.0079 0.0299
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0293 0.0258
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Toxoplasma gondii histone deacetylase HDAC5 0.011 0.0627 0.0593
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.1088 0.5775
Loa Loa (eye worm) oxidoreductase 0.0104 0.0592 0.3171
Echinococcus granulosus histone deacetylase 6 0.0212 0.1295 0.6898
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0104 0.0592 0.3171
Echinococcus granulosus histone deacetylase 7 0.0212 0.1295 0.6898
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0028 0.0023
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0104 0.0592 0.0558
Schistosoma mansoni lamin 0.0026 0.0079 0.0395
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.0543 0.2813
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.182 1
Plasmodium vivax histone deacetylase, putative 0.011 0.0627 0.0593
Onchocerca volvulus 0.0104 0.0592 0.9362
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0104 0.0592 0.3207
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0103 0.0553
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0036 0.0193
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.0915 0.0882
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0104 0.0592 0.3081
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0058 0.0286 0.1418
Plasmodium vivax enoyl-acyl carrier protein reductase 0.154 1 1
Echinococcus granulosus histone deacetylase 3 0.0274 0.1707 0.9131
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0036 0.0132
Toxoplasma gondii histone deacetylase HDAC1 0.0212 0.1295 0.1264
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0104 0.0592 0.0558
Leishmania major histone deacetylase, putative 0.0274 0.1707 0.9374
Loa Loa (eye worm) hypothetical protein 0.0018 0.0028 0.0152
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Schistosoma mansoni tyrosine kinase 0.0058 0.0286 0.1613
Mycobacterium ulcerans oxidoreductase 0.0104 0.0592 0.0558
Schistosoma mansoni tyrosine kinase 0.018 0.1088 0.6351
Echinococcus granulosus lamin dm0 0.0026 0.0079 0.0299
Schistosoma mansoni tyrosine kinase 0.0097 0.0543 0.3129
Echinococcus granulosus muscleblind protein 0.0299 0.1867 1
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.1295 0.7098
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.1295 0.7572
Echinococcus multilocularis insulin receptor 0.0058 0.0286 0.1418
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0036 0.0065
Trypanosoma brucei histone deacetylase 1 0.0274 0.1707 0.9374
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Leishmania major histone deacetylase, putative 0.0274 0.1707 0.9374
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0073 0.0355
Brugia malayi Protein kinase domain containing protein 0.0058 0.0286 0.153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0198 0.1096
Plasmodium vivax histone deacetylase, putative 0.0212 0.1295 0.1264
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0293 0.1458
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0104 0.0592 0.0558
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0104 0.0592 0.0558
Loa Loa (eye worm) hypothetical protein 0.004 0.0169 0.0904
Schistosoma mansoni tyrosine kinase 0.0058 0.0286 0.1613
Trypanosoma brucei histone deacetylase 3 0.0212 0.1295 0.7098
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Schistosoma mansoni cpg binding protein 0.003 0.0103 0.0537
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0104 0.0592 0.3207
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0152 0.0695
Loa Loa (eye worm) histone deacetylase 11 0.011 0.0627 0.3358
Echinococcus multilocularis geminin 0.0164 0.0981 0.5192
Echinococcus multilocularis histone deacetylase 0.0212 0.1295 0.6898
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0104 0.0592 0.3207
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0177 0.0913
Loa Loa (eye worm) hypothetical protein 0.0274 0.1707 0.9142
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0104 0.0592 0.0558
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0177 0.0913
Trichomonas vaginalis histone deacetylase, putative 0.0274 0.1707 0.1677
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0104 0.0592 0.0558
Loa Loa (eye worm) hypothetical protein 0.0042 0.0185 0.099
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.0543 0.2813
Trichomonas vaginalis histone deacetylase, putative 0.0274 0.1707 0.1677
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0104 0.0592 0.0558
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0036 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Schistosoma mansoni hypothetical protein 0.0021 0.0048 0.0213
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0073 0.0262
Echinococcus multilocularis musashi 0.0026 0.0079 0.0299
Brugia malayi histone deacetylase 1 (HD1) 0.0274 0.1707 0.9142
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0322 0.1826
Schistosoma mansoni bromodomain containing protein 0.0067 0.0349 0.1986
Schistosoma mansoni cpg binding protein 0.0033 0.0127 0.0679
Toxoplasma gondii histone deacetylase HDAC4 0.011 0.0627 0.0593
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0293 0.0258
Schistosoma mansoni histone deacetylase 0.0274 0.1707 1
Schistosoma mansoni hypothetical protein 0.0164 0.0981 0.5717
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0079 0.0424
Brugia malayi Histone deacetylase family protein 0.0212 0.1295 0.6939
Toxoplasma gondii hypothetical protein 0.0047 0.0217 0.0181
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0104 0.0592 0.0558
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0028 0.0095
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0036 0.0132
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.182 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0274 0.1707 0.1677
Onchocerca volvulus 0.003 0.0103 0.0439
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.0592 0.0558
Plasmodium falciparum histone deacetylase, putative 0.0212 0.1295 0.1264
Brugia malayi Histone deacetylase family protein 0.0212 0.1295 0.6939
Trypanosoma cruzi histone deacetylase, putative 0.011 0.0627 0.34
Loa Loa (eye worm) hypothetical protein 0.0046 0.0209 0.1119
Echinococcus multilocularis muscleblind protein 0.0299 0.1867 1
Loa Loa (eye worm) histone deacetylase 3 0.0274 0.1707 0.9142
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0293 0.0258
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.182 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.154 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0293 0.1656
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0104 0.0592 0.0558
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0104 0.0592 0.0558
Echinococcus granulosus zinc finger protein 0.0022 0.0052 0.0153
Echinococcus multilocularis histone deacetylase 6 0.0212 0.1295 0.6898
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0293 0.1656
Plasmodium falciparum enoyl-acyl carrier reductase 0.154 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.0813 0.443
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0028 0.0095
Loa Loa (eye worm) hypothetical protein 0.0073 0.0388 0.2079
Onchocerca volvulus 0.0104 0.0592 0.9362
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.0543 0.2813
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0079 0.0424
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0177 0.0913
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.1295 0.7098
Echinococcus granulosus histone deacetylase 8 0.011 0.0627 0.3271
Entamoeba histolytica histone deacetylase, putative 0.0274 0.1707 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0198 0.0943
Plasmodium falciparum histone deacetylase 2 0.0212 0.1295 0.1264
Echinococcus granulosus histone deacetylase 1 0.0274 0.1707 0.9131
Brugia malayi Muscleblind-like protein 0.0299 0.1867 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0048 0.026
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0036 0.0065
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0104 0.0592 0.0558
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0024 0.007
Echinococcus granulosus histone deacetylase 0.0212 0.1295 0.6898
Plasmodium vivax histone deacetylase 2, putative 0.0212 0.1295 0.1264
Mycobacterium ulcerans short chain dehydrogenase 0.0104 0.0592 0.0558
Echinococcus multilocularis histone deacetylase 6 0.0212 0.1295 0.6898
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0104 0.0592 0.3207
Echinococcus multilocularis histone deacetylase 8 0.011 0.0627 0.3271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0198 0.1096
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0104 0.0592 0.3207
Schistosoma mansoni histone deacetylase hda2 0.011 0.0627 0.3627
Echinococcus granulosus insulin receptor 0.0058 0.0286 0.1418
Schistosoma mansoni ap endonuclease 0.0019 0.0036 0.014
Echinococcus granulosus geminin 0.0164 0.0981 0.5192
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0104 0.0592 0.0558
Echinococcus multilocularis lamin dm0 0.0026 0.0079 0.0299
Loa Loa (eye worm) histone deacetylase 7A 0.0212 0.1295 0.6939
Toxoplasma gondii histone deacetylase HDAC2 0.0274 0.1707 0.1677
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0293 0.1552
Trypanosoma brucei pteridine reductase 1 0.0104 0.0592 0.3207
Schistosoma mansoni tyrosine kinase 0.0096 0.0536 0.3089
Echinococcus granulosus histone deacetylase 6 0.0212 0.1295 0.6898
Schistosoma mansoni cpg binding protein 0.0033 0.0127 0.0679
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.182 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0058 0.0286 0.1418
Mycobacterium ulcerans hypothetical protein 0.0154 0.0915 0.0882
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0198 0.0943
Echinococcus multilocularis histone deacetylase 7 0.0212 0.1295 0.6898
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.154 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0104 0.0592 0.0558
Loa Loa (eye worm) hypothetical protein 0.0299 0.1867 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0293 0.1458
Leishmania major oxidoreductase-like protein 0.0104 0.0592 0.3207
Echinococcus multilocularis histone deacetylase 3 0.0274 0.1707 0.9131
Schistosoma mansoni histone deacetylase 1 2 3 0.011 0.0627 0.3627
Trichomonas vaginalis histone deacetylase, putative 0.0274 0.1707 0.1677
Trypanosoma brucei histone deacetylase, putative 0.0212 0.1295 0.7098
Brugia malayi Bromodomain containing protein 0.004 0.0168 0.0901
Brugia malayi histone deacetylase 3 (HD3) 0.0274 0.1707 0.9142
Loa Loa (eye worm) TK/INSR protein kinase 0.0058 0.0286 0.153
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0177 0.0913
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0079 0.0424
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0036 0.0193
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0104 0.0592 0.0558

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.9 uM Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay ChEMBL. 22698782
IC50 (binding) = 1.21 uM Inhibition of HDAC derived from human HeLa cell nuclear extract using Boc-Lys(acetyl)-AMC as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluorimetry ChEMBL. 22698782
IC50 (functional) = 1.88 uM Antiproliferative activity against human A431 cells after 48 hrs by MTT assay ChEMBL. 22698782
IC50 (functional) = 30.9 uM Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay ChEMBL. 22698782

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22698782

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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