Detailed information for compound 505331

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.355 | Formula: C21H17BrN4OS
  • H donors: 3 H acceptors: 2 LogP: 5.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)sc(n2)NCc1ccc(cc1)C(=O)Nc1ccccc1N
  • InChi: 1S/C21H17BrN4OS/c22-15-9-10-18-19(11-15)28-21(26-18)24-12-13-5-7-14(8-6-13)20(27)25-17-4-2-1-3-16(17)23/h1-11H,12,23H2,(H,24,26)(H,25,27)
  • InChiKey: UBEDKYNGAVJFEP-UHFFFAOYSA-N  


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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 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis 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
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase 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
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii histone deacetylase 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
Echinococcus granulosus histone deacetylase 3 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 falciparum histone deacetylase 1 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
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, 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 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
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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia 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
Plasmodium knowlesi histone deacetylase 1, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein 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 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
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
Loa Loa (eye worm) histone deacetylase 3 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
Toxoplasma gondii histone deacetylase HDAC3 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
Cryptosporidium hominis 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
Plasmodium berghei 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
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus 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
Leishmania donovani histone deacetylase, 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
Leishmania mexicana histone deacetylase, putative 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
Leishmania mexicana 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
Toxoplasma gondii histone deacetylase HDAC2 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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0071 0.1012 0.1012
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.111 0.2666
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.026 0.1106
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.026 0.1012
Trichomonas vaginalis set domain proteins, putative 0.024 0.3964 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.026 0.1012
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.026 0.026
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.026 0.1012
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.026 0.1012
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.026 0.026
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0073 0.0073
Schistosoma mansoni netrin receptor unc5 0.0028 0.0265 0.1032
Loa Loa (eye worm) histone deacetylase 11 0.0022 0.0151 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0022 0.0151 0.0151
Echinococcus multilocularis acetylcholinesterase 0.0071 0.1011 0.3935
Echinococcus multilocularis histone deacetylase 3 0.0077 0.111 0.4322
Echinococcus multilocularis carboxylesterase 5A 0.0071 0.1011 0.3935
Brugia malayi hypothetical protein 0.0015 0.0028 0.0028
Brugia malayi ShTK domain containing protein 0.0089 0.132 0.132
Brugia malayi nuclear hormone receptor 0.0028 0.026 0.026
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0277 0.1179
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.1255 0.4887
Echinococcus multilocularis Ankyrin 0.0029 0.0269 0.1048
Loa Loa (eye worm) tyrosinase 1 0.0089 0.132 0.132
Plasmodium vivax SET domain protein, putative 0.003 0.0297 0.152
Brugia malayi intermediate filament protein 0.0027 0.0246 0.0246
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0187 0.0795
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0071 0.1011 0.3935
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0151 0.0587
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.026 0.026
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.026 0.0655
Schistosoma mansoni histone deacetylase 1 2 3 0.0022 0.0151 0.0587
Schistosoma mansoni hypothetical protein 0.0069 0.0977 0.3802
Brugia malayi Carboxylesterase family protein 0.0071 0.1011 0.1011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0297 0.1155
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0017 0.0073 0.0284
Echinococcus granulosus nuclear factor of activated T cells 5 0.0146 0.2315 0.9845
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.026 0.1106
Echinococcus granulosus intermediate filament protein 0.0027 0.0246 0.1044
Schistosoma mansoni thyroid hormone receptor 0.016 0.2569 1
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.111 0.2666
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.026 0.1012
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.026 0.1106
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.111 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0265 0.0265
Echinococcus granulosus lamin dm0 0.0027 0.0246 0.1044
Brugia malayi Common central domain of tyrosinase family protein 0.0089 0.132 0.132
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.026 0.026
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.026 0.1012
Loa Loa (eye worm) hypothetical protein 0.0071 0.1011 0.1011
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.026 0.1012
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0089 0.132 0.132
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.2426 0.9444
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0151 0.0751
Leishmania major histone deacetylase, putative 0.0022 0.0151 0.0751
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0028 0.0265 0.1127
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0297 0.1155
Loa Loa (eye worm) hypothetical protein 0.0586 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.132 0.132
Echinococcus multilocularis histone deacetylase 7 0.0022 0.0151 0.0587
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0484 0.3966
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.026 0.1012
Brugia malayi steroid hormone receptor 0.0028 0.026 0.026
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0017 0.0073 0.0284
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.026 0.026
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0015 0.0028 0.0108
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0151 0.0587
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0151 0.0751
Onchocerca volvulus 0.0027 0.0246 0.0619
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0073 0.0073
Brugia malayi Pre-SET motif family protein 0.003 0.0297 0.0297
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0484 0.3476
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.026 0.026
Onchocerca volvulus 0.0089 0.132 0.3327
Loa Loa (eye worm) hypothetical protein 0.0015 0.0028 0.0028
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.026 0.1106
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.132 0.132
Echinococcus granulosus death domain containing protein 0.0028 0.0265 0.1127
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0015 0.0028 0.0118
Giardia lamblia Histone deacetylase 0.0077 0.111 1
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.111 0.111
Onchocerca volvulus 0.003 0.0297 0.0747
Onchocerca volvulus Histone deacetylase 10 homolog 0.0022 0.0151 0.038
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.026 0.1012
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0028 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0297 0.1155
Onchocerca volvulus 0.0089 0.132 0.3327
Echinococcus granulosus netrin receptor unc 5 0.0028 0.0265 0.1127
Echinococcus granulosus lamin 0.0027 0.0246 0.1044
Echinococcus granulosus histone deacetylase 0.0022 0.0151 0.0641
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.026 0.1012
Schistosoma mansoni tyrosinase precursor 0.0089 0.132 0.5139
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0151 0.0751
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.111 0.2666
Loa Loa (eye worm) hypothetical protein 0.0027 0.0237 0.0237
Schistosoma mansoni hypothetical protein 0.0028 0.0265 0.1032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1012 0.4305
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.2426 0.9444
Entamoeba histolytica hypothetical protein 0.0071 0.1012 0.9053
Echinococcus multilocularis histone deacetylase 8 0.0022 0.0151 0.0587
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.026 0.026
Echinococcus granulosus histone deacetylase 3 0.0077 0.111 0.4722
Schistosoma mansoni intermediate filament proteins 0.0027 0.0246 0.0956
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0151 0.0587
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0297 0.1155
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.111 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.026 0.1012
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Onchocerca volvulus 0.0089 0.132 0.3327
Trypanosoma brucei histone deacetylase, putative 0.0022 0.0151 0.0751
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.026 0.0655
Echinococcus multilocularis musashi 0.0027 0.0246 0.0956
Echinococcus granulosus carboxylesterase 5A 0.0071 0.1011 0.4299
Loa Loa (eye worm) histone deacetylase 7A 0.0022 0.0151 0.0151
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0028 0.0265 0.0265
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0151 0.0587
Brugia malayi hypothetical protein 0.0067 0.0936 0.0936
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0146 0.2315 0.9011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.026 0.026
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.026 0.1106
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.111 0.111
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.026 0.0655
Brugia malayi ecdysteroid receptor 0.0028 0.026 0.026
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.0073 0.0284
Brugia malayi Histone deacetylase family protein 0.0022 0.0151 0.0151
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.111 0.2666
Loa Loa (eye worm) hypothetical protein 0.0089 0.132 0.132
Schistosoma mansoni thyroid hormone receptor 0.016 0.2569 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.026 0.026
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1012 0.394
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0549 0.4593
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.026 0.026
Trypanosoma brucei histone deacetylase 4 0.0022 0.0151 0.0751
Echinococcus granulosus jun protein 0.0085 0.1255 0.5339
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0028 0.0265 0.1032
Trypanosoma brucei histone deacetylase 2 0.0022 0.0151 0.0751
Loa Loa (eye worm) acetylcholinesterase 1 0.0071 0.1011 0.1011
Loa Loa (eye worm) hypothetical protein 0.0015 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0089 0.132 0.132
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0246 0.0246
Onchocerca volvulus 0.0028 0.026 0.0655
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0074 0.0006
Trypanosoma brucei histone deacetylase 3 0.0022 0.0151 0.0751
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.111 0.2666
Schistosoma mansoni coup transcription factor 0.0028 0.026 0.1012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.026 0.1012
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0071 0.1012 0.394
Toxoplasma gondii histone deacetylase HDAC5 0.0022 0.0155 0.0791
Loa Loa (eye worm) hypothetical protein 0.0029 0.0269 0.0269
Onchocerca volvulus 0.0089 0.132 0.3327
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0017 0.0073 0.031
Echinococcus multilocularis histone deacetylase 1 0.0077 0.111 0.4322
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0246 0.0246
Brugia malayi Pre-SET motif family protein 0.0211 0.3455 0.3455
Entamoeba histolytica hypothetical protein 0.0024 0.0187 0.1099
Echinococcus granulosus acetylcholinesterase 0.0071 0.1011 0.4299
Echinococcus multilocularis histone deacetylase 0.0022 0.0151 0.0587
Entamoeba histolytica hypothetical protein 0.0071 0.1012 0.9053
Schistosoma mansoni jun-related protein 0.0069 0.0977 0.3802
Echinococcus granulosus histone deacetylase 6 0.0022 0.0151 0.0641
Leishmania major histone deacetylase, putative 0.0077 0.111 1
Schistosoma mansoni histone deacetylase 0.0077 0.111 0.4322
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0549 0.4593
Entamoeba histolytica histone deacetylase, putative 0.0077 0.111 1
Onchocerca volvulus Netrin receptor homolog 0.0028 0.0265 0.0668
Loa Loa (eye worm) hypothetical protein 0.0015 0.0028 0.0028
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0151 0.0751
Brugia malayi Histone deacetylase 1 0.0077 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.0083 0.1215 0.1215
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0074 0.0006
Schistosoma mansoni hypothetical protein 0.0132 0.2076 0.8084
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0128 0.0533
Schistosoma mansoni ankyrin 23/unc44 0.0028 0.0265 0.1032
Plasmodium falciparum histone deacetylase 1 0.0077 0.111 1
Echinococcus granulosus histone deacetylase 7 0.0022 0.0151 0.0641
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0132 0.2076 0.8084
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.3455 0.3455
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.111 0.111
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.026 0.026
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.026 0.026
Loa Loa (eye worm) acetyltransferase 0.0152 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Brugia malayi hypothetical protein 0.0015 0.0028 0.0028
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0246 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.132 0.132
Brugia malayi histone deacetylase 11 0.0022 0.0151 0.0151
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.026 0.1012
Echinococcus granulosus histone deacetylase 6 0.0022 0.0151 0.0641
Echinococcus granulosus histone deacetylase 8 0.0022 0.0151 0.0641
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.026 0.026
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0024 0.0024
Toxoplasma gondii histone deacetylase HDAC4 0.0022 0.0151 0.0751
Entamoeba histolytica hypothetical protein 0.0071 0.1012 0.9053
Onchocerca volvulus 0.0027 0.0246 0.0619
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.111 1
Schistosoma mansoni tyrosinase precursor 0.0089 0.132 0.5139
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.026 0.026
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0187 0.1099
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0549 0.2337
Echinococcus granulosus Ankyrin 0.0029 0.0269 0.1145
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0015 0.0028 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0187 0.0293
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.1255 0.5339
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.111 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0187 0.0187
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0297 0.1155
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0297 0.1262
Loa Loa (eye worm) histone deacetylase 0.0022 0.0151 0.0151
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0209 0.0209
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.026 0.026
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.026 0.1012
Brugia malayi bZIP transcription factor family protein 0.0085 0.1255 0.1255
Brugia malayi Uncoordinated protein 44 0.0028 0.0265 0.0265
Brugia malayi Death domain containing protein 0.0028 0.0265 0.0265
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0151 0.0751
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.026 0.1012
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.111 0.2666
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0187 0.0728
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.026 0.026
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0297 0.1155
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0024 0.0024
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.111 0.2666
Entamoeba histolytica hypothetical protein 0.0071 0.1012 0.9053
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0549 0.1225
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0187 0.0728
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.0073 0.0284
Echinococcus multilocularis jun protein 0.0085 0.1255 0.4887
Schistosoma mansoni histone deacetylase 0.0077 0.111 0.4322
Loa Loa (eye worm) hypothetical protein 0.0015 0.0028 0.0028
Brugia malayi nuclear receptor RXR 0.0015 0.0028 0.0028
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.132 0.132
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.0028 0.0108
Loa Loa (eye worm) hypothetical protein 0.003 0.0297 0.0297
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0484 0.3966
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.026 0.1106
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.2351 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.026 0.026
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0151 0.0587
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.026 0.026
Toxoplasma gondii histone deacetylase HDAC1 0.0022 0.0151 0.0751
Brugia malayi Cytochrome P450 family protein 0.0025 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0027 0.0246 0.0246
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0028 0.0028
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0187 0.1099
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.132 0.132
Brugia malayi Histone deacetylase family protein 0.0022 0.0151 0.0151
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0132 0.2076 0.8831
Loa Loa (eye worm) hypothetical protein 0.0015 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0071 0.1011 0.1011
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.111 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.111 0.111
Schistosoma mansoni nuclear hormone receptor 0.0028 0.026 0.1012
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.026 0.1012
Echinococcus granulosus FTZ F1 alpha 0.0028 0.026 0.1106
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.111 0.2666
Onchocerca volvulus 0.0241 0.3968 1
Schistosoma mansoni lamin 0.0027 0.0246 0.0956
Loa Loa (eye worm) carboxylesterase 0.0071 0.1011 0.1011
Brugia malayi Protein kinase domain containing protein 0.0028 0.0265 0.0265
Echinococcus granulosus histone deacetylase 1 0.0077 0.111 0.4722
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.111 0.2666
Echinococcus multilocularis netrin receptor unc 5 0.0028 0.0265 0.1032
Brugia malayi nuclear receptor NHR-88 0.0028 0.026 0.026
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.0073 0.031
Echinococcus multilocularis acetylcholinesterase 0.0071 0.1011 0.3935
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0297 0.2156
Leishmania major histone deacetylase, putative 0.0022 0.0151 0.0751
Loa Loa (eye worm) hypothetical protein 0.0021 0.0128 0.0128
Brugia malayi Carboxylesterase family protein 0.0071 0.1011 0.1011
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0029 0.0269 0.1048
Echinococcus multilocularis lamin 0.0027 0.0246 0.0956
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0549 0.1225
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.026 0.1106
Schistosoma mansoni lamin 0.0027 0.0246 0.0956
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0549 0.4155
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0015 0.0028 0.0028
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.026 0.1012
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0073 0.0073
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.026 0.026
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0073 0.0073
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.026 0.1106
Echinococcus granulosus acetylcholinesterase 0.0071 0.1011 0.4299
Echinococcus multilocularis thyroid hormone receptor alpha 0.016 0.2569 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.026 0.026
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0265 0.0265
Echinococcus granulosus histone deacetylase 6 0.0022 0.0151 0.0641
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0151 0.0587
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.2426 0.2426
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.111 0.111
Onchocerca volvulus 0.0067 0.0936 0.2359
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1012 0.394
Trypanosoma brucei histone deacetylase 1 0.0077 0.111 1
Echinococcus multilocularis lamin dm0 0.0027 0.0246 0.0956
Leishmania major histone deacetylase, putative 0.0077 0.111 1
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0151 0.0587
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0187 0.1099

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 2 uM Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 ChEMBL. 18207391
EC50 (binding) = 2 uM Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 ChEMBL. 18207391
IC50 (binding) = 0.05 uM Inhibition of recombinant HDAC1 (unknown origin) ChEMBL. 18207391
IC50 (binding) = 0.05 uM Inhibition of recombinant HDAC1 (unknown origin) ChEMBL. 18207391
IC50 (functional) = 0.4 uM Cytotoxicity against human HCT116 cells by MTT assay ChEMBL. 18207391
IC50 (functional) = 0.4 uM Cytotoxicity against human HCT116 cells by MTT assay ChEMBL. 18207391
IC50 (ADMET) = 6 uM Cytotoxicity against human HMEC cells by MTT assay ChEMBL. 18207391
IC50 (ADMET) = 6 uM Cytotoxicity against human HMEC cells by MTT assay ChEMBL. 18207391

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18207391

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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