Detailed information for compound 1723215

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.982 | Formula: C27H27ClN4O2
  • H donors: 3 H acceptors: 2 LogP: 3.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C[C@H]([C@@H](C1)c1ccc(cc1)/C=C/C(=O)Nc1ccccc1N)C(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1
  • InChiKey: CTJRRDKOXVXXEW-RNMWKOHKSA-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 potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus histone deacetylase 6 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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 4 5 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 voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
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
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus 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
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein 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 granulosus histone deacetylase 7 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
Babesia bovis histone deacetylase, putative 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 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
Loa Loa (eye worm) histone deacetylase 1 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
Leishmania major 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
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
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma cruzi 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
Loa Loa (eye worm) 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
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense 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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Cryptosporidium hominis histone deacetylase 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
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Schistosoma mansoni histone deacetylase 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
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Histone deacetylase 4, 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 cruzi 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense 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
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis 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
Leishmania braziliensis 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
Leishmania mexicana 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
Plasmodium falciparum histone deacetylase 2 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
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, 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
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC1 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, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum histone deacetylase, putative 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
Plasmodium berghei histone deacetylase 2, 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
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
Plasmodium falciparum histone deacetylase 1 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
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Theileria parva 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
Trichomonas vaginalis 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
Echinococcus multilocularis 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
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva 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 japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis histone deacetylase 6 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
Plasmodium vivax 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 1 (HD1) 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 knowlesi histone deacetylase 2, putative 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
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
Trypanosoma cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone deacetylase 6 0.0309 0.3207 0.3207
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0011 0.0011
Trypanosoma brucei histone deacetylase 2 0.0139 0.1365 0.4132
Echinococcus multilocularis histone deacetylase 3 0.0304 0.3151 0.3151
Brugia malayi WH1 domain containing protein 0.041 0.4299 0.4299
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0526 0.5562 1
Trypanosoma cruzi histone deacetylase, putative 0.0309 0.3207 0.5715
Brugia malayi serine/threonine-protein kinase PAK 7 0.0792 0.8436 0.8436
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.041 0.4299 0.4337
Schistosoma mansoni histone deacetylase 4 5 0.0309 0.3207 0.3207
Schistosoma mansoni tyrosine kinase 0.041 0.4299 0.4299
Brugia malayi Histone deacetylase 1 0.0304 0.3151 0.3151
Echinococcus granulosus histone deacetylase 0.0309 0.3207 0.3207
Schistosoma mansoni protein kinase 0.0418 0.4386 0.4386
Plasmodium falciparum histone deacetylase, putative 0.0309 0.3207 1
Schistosoma mansoni serine/threonine protein kinase 0.0526 0.5562 0.5562
Echinococcus multilocularis histone deacetylase 8 0.0139 0.1365 0.1365
Echinococcus granulosus histone deacetylase 6 0.0309 0.3207 0.3207
Echinococcus multilocularis PAK box P21 Rho binding 0.0418 0.4386 0.4386
Leishmania major cytochrome p450-like protein 0.0019 0.0067 0.0175
Schistosoma mansoni hypothetical protein 0.041 0.4299 0.4299
Loa Loa (eye worm) hypothetical protein 0.017 0.1703 0.1718
Loa Loa (eye worm) histone deacetylase 3 0.0304 0.3151 0.3179
Plasmodium vivax histone deacetylase 2, putative 0.0309 0.3207 0.1158
Trypanosoma brucei histone deacetylase 4 0.0309 0.3207 1
Toxoplasma gondii histone deacetylase HDAC3 0.0304 0.3151 0.8651
Echinococcus granulosus cGMP dependent protein kinase 1 0.0014 0.0011 0.0011
Brugia malayi histone deacetylase 11 0.0349 0.364 0.364
Toxoplasma gondii histone deacetylase HDAC1 0.0309 0.3207 0.8807
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0387 0.0387
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0343 0.0343
Brugia malayi histone deacetylase 3 (HD3) 0.0304 0.3151 0.3151
Echinococcus multilocularis histone deacetylase 6 0.0309 0.3207 0.3207
Plasmodium vivax histone deacetylase, putative 0.0349 0.364 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.3151 0.3179
Echinococcus multilocularis histone deacetylase 6 0.0309 0.3207 0.3207
Entamoeba histolytica protein kinase, putative 0.0418 0.4386 0.1804
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0067 0.5
Echinococcus multilocularis histone deacetylase 6 0.0309 0.3207 0.3207
Brugia malayi Histone deacetylase family protein 0.0309 0.3207 0.3207
Brugia malayi Cytochrome P450 family protein 0.0019 0.0067 0.0067
Trypanosoma cruzi p21-activated kinase 3, putative 0.0526 0.5562 1
Trichomonas vaginalis STE family protein kinase 0.0418 0.4386 0.4206
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0343 0.0343
Schistosoma mansoni wiskott-aldrich syndrome protein 0.041 0.4299 0.4299
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0792 0.8436 0.851
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.041 0.4299 0.4299
Entamoeba histolytica protein kinase, putative 0.0418 0.4386 0.1804
Schistosoma mansoni histone deacetylase 4 5 0.0309 0.3207 0.3207
Brugia malayi p21/Cdc42/Rac1-activated kinase 0.0526 0.5562 0.5562
Brugia malayi Histone deacetylase family protein 0.0309 0.3207 0.3207
Trypanosoma brucei histone deacetylase 1 0.0304 0.3151 0.9819
Loa Loa (eye worm) hypothetical protein 0.0139 0.1365 0.1377
Trichomonas vaginalis histone deacetylase, putative 0.0304 0.3151 0.2931
Echinococcus granulosus cGMP dependent protein kinase 0.0014 0.0011 0.0011
Entamoeba histolytica hypothetical protein 0.041 0.4299 0.1676
Leishmania major histone deacetylase, putative 0.0304 0.3151 0.9823
Echinococcus granulosus PAK box P21 Rho binding 0.041 0.4299 0.4299
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0304 0.3151 0.2931
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0011 0.0011
Plasmodium vivax histone deacetylase, putative 0.0309 0.3207 0.1158
Plasmodium falciparum histone deacetylase 1 0.0304 0.3151 0.9823
Echinococcus multilocularis expressed conserved protein 0.0014 0.0011 0.0011
Echinococcus granulosus histone deacetylase 6 0.0309 0.3207 0.3207
Schistosoma mansoni hypothetical protein 0.041 0.4299 0.4299
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0382 0.3998 0.3998
Echinococcus granulosus histone deacetylase 7 0.0309 0.3207 0.3207
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0526 0.5562 0.5611
Toxoplasma gondii histone deacetylase HDAC2 0.0304 0.3151 0.8651
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0343 0.0346
Trichomonas vaginalis conserved hypothetical protein 0.0928 0.9913 0.991
Brugia malayi P21-Rho-binding domain containing protein 0.041 0.4299 0.4299
Loa Loa (eye worm) histone deacetylase 7A 0.0309 0.3207 0.3236
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0011 0.0011
Brugia malayi histone deacetylase 1 (HD1) 0.0304 0.3151 0.3151
Leishmania major histone deacetylase, putative 0.0309 0.3207 1
Trypanosoma cruzi histone deacetylase, putative 0.0139 0.1365 0.2362
Echinococcus granulosus serine:threonine protein kinase PAK 1 0.0518 0.5474 0.5474
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0014 0.0011 0.0011
Brugia malayi P21-Rho-binding domain containing protein 0.041 0.4299 0.4299
Trypanosoma cruzi histone deacetylase, putative 0.0139 0.1365 0.2362
Echinococcus granulosus histone deacetylase 1 0.0304 0.3151 0.3151
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0387 0.0387
Toxoplasma gondii histone deacetylase HDAC5 0.0139 0.1365 0.373
Loa Loa (eye worm) histone deacetylase 1 0.0304 0.3151 0.3179
Trypanosoma cruzi histone deacetylase 1, putative 0.0304 0.3151 0.5612
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0382 0.3998 0.3998
Loa Loa (eye worm) hypothetical protein 0.0928 0.9913 1
Schistosoma mansoni serine/threonine protein kinase 0.0526 0.5562 0.5562
Trichomonas vaginalis histone deacetylase, putative 0.0304 0.3151 0.2931
Schistosoma mansoni serine/threonine protein kinase 0.041 0.4299 0.4299
Schistosoma mansoni histone deacetylase hda2 0.0139 0.1365 0.1365
Onchocerca volvulus Histone deacetylase 10 homolog 0.0139 0.1365 0.5
Echinococcus multilocularis histone deacetylase 7 0.0309 0.3207 0.3207
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0067 0.0068
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0067 0.0068
Leishmania major histone deacetylase, putative 0.0304 0.3151 0.9823
Entamoeba histolytica hypothetical protein 0.041 0.4299 0.1676
Loa Loa (eye worm) AGC/PKG protein kinase 0.0014 0.0011 0.0011
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0304 0.3151 0.2931
Schistosoma mansoni hypothetical protein 0.041 0.4299 0.4299
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0526 0.5562 0.5611
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0304 0.3151 0.2931
Trichomonas vaginalis histone deacetylase, putative 0.0304 0.3151 0.2931
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0067 0.0068
Echinococcus multilocularis histone deacetylase 0.0309 0.3207 0.3207
Leishmania major histone deacetylase, putative 0.0309 0.3207 1
Trichomonas vaginalis mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative 0.0526 0.5562 0.5419
Loa Loa (eye worm) hypothetical protein 0.0039 0.0279 0.0282
Schistosoma mansoni histone deacetylase hda2 0.0309 0.3207 0.3207
Echinococcus granulosus histone deacetylase 3 0.0304 0.3151 0.3151
Trichomonas vaginalis histone deacetylase, putative 0.0304 0.3151 0.2931
Loa Loa (eye worm) histone deacetylase 11 0.0349 0.364 0.3672
Echinococcus multilocularis PAK box P21 Rho binding 0.041 0.4299 0.4299
Loa Loa (eye worm) hypothetical protein 0.017 0.1703 0.1718
Echinococcus granulosus cGMP dependent protein kinase 1 0.0014 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.021 0.2136 0.2154
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.041 0.4299 0.4299
Trypanosoma cruzi histone deacetylase, putative 0.0309 0.3207 0.5715
Echinococcus granulosus histone deacetylase 8 0.0139 0.1365 0.1365
Trypanosoma brucei histone deacetylase, putative 0.0309 0.3207 1
Schistosoma mansoni histone deacetylase 0.0304 0.3151 0.3151
Trypanosoma cruzi histone deacetylase 1, putative 0.0304 0.3151 0.5612
Plasmodium falciparum histone deacetylase 2 0.0309 0.3207 1
Entamoeba histolytica protein kinase, putative 0.0418 0.4386 0.1804
Trichomonas vaginalis histone deacetylase, putative 0.0304 0.3151 0.2931
Loa Loa (eye worm) histone deacetylase 0.0309 0.3207 0.3236
Trichomonas vaginalis histone deacetylase, putative 0.0304 0.3151 0.2931
Echinococcus multilocularis histone deacetylase 1 0.0304 0.3151 0.3151
Schistosoma mansoni histone deacetylase 0.0304 0.3151 0.3151
Trypanosoma brucei histone deacetylase 3 0.0309 0.3207 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0343 0.0343
Brugia malayi Egg laying defective protein 4 0.0014 0.0011 0.0011
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.041 0.4299 0.4299
Schistosoma mansoni histone deacetylase 1 2 3 0.0139 0.1365 0.1365
Brugia malayi Cytochrome P450 family protein 0.0019 0.0067 0.0067
Toxoplasma gondii histone deacetylase HDAC4 0.0349 0.364 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0014 0.0011 0.0011
Trypanosoma cruzi histone deacetylase, putative 0.0309 0.3207 0.5715
Schistosoma mansoni protein kinase 0.041 0.4299 0.4299

Activities

Activity type Activity value Assay description Source Reference
F (ADMET) = 89 % Oral bioavailability in BALB/C mouse at 10 mg/kg by LC-MS/MS method ChEMBL. 23061376
IC50 (binding) = 0.14 uM Inhibition of HDAC1 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) = 0.2 uM Inhibition of HDAC3 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) = 0.27 uM Inhibition of HDAC2 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) = 1.1 uM Inhibition of HDAC5 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) = 1.6 uM Inhibition of HDAC10 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) = 5 uM Inhibition of human ERG expressed in CHO cells by patch clamp method ChEMBL. 23061376
IC50 (binding) = 13 uM Inhibition of HDAC9 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) = 20 uM Inhibition of HDAC11 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (ADMET) = 21 uM Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method ChEMBL. 23061376
IC50 (ADMET) = 23 uM Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method ChEMBL. 23061376
IC50 (binding) > 30 uM Inhibition of HDAC8 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) > 30 uM Inhibition of HDAC7 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (binding) > 30 uM Inhibition of HDAC6 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (ADMET) = 32 uM Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS method ChEMBL. 23061376
IC50 (binding) = 36 uM Inhibition of HDAC4 using p53 (379 to 382 residues) based fluorogenic peptide substrate ChEMBL. 23061376
IC50 (ADMET) = 43 uM Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS method ChEMBL. 23061376
IC50 (ADMET) = 50 uM Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS method ChEMBL. 23061376

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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