Detailed information for compound 446490

Basic information

Technical information
  • TDR Targets ID: 446490
  • Name: N-(2-aminophenyl)-4-[(3-oxo-1,2-dihydroinden- 2-yl)methyl]benzamide
  • MW: 356.417 | Formula: C23H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)CC1Cc2c(C1=O)cccc2)Nc1ccccc1N
  • InChi: 1S/C23H20N2O2/c24-20-7-3-4-8-21(20)25-23(27)16-11-9-15(10-12-16)13-18-14-17-5-1-2-6-19(17)22(18)26/h1-12,18H,13-14,24H2,(H,25,27)
  • InChiKey: YFWNJSPBMVKFTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-aminophenyl)-4-[(1-oxoindan-2-yl)methyl]benzamide
  • N-(2-aminophenyl)-4-[(1-oxo-2-indanyl)methyl]benzamide
  • N-(2-aminophenyl)-4-[(1-ketoindan-2-yl)methyl]benzamide

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
Plasmodium falciparum 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
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 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
Echinococcus multilocularis 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
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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 major histone deacetylase, 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
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 3 (HD3) 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 1, 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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis 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
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 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
Plasmodium yoelii 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
Trypanosoma brucei 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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 knowlesi histone deacetylase 1, 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
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
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_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 3 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
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 nuclear hormone receptor 0.0121 0.1035 0.1208
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0315 0.3939 0.3834
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0315 0.3939 0.3834
Echinococcus granulosus nuclear receptor nhr 48 0.0121 0.1035 0.088
Leishmania major histone deacetylase, putative 0.0077 0.0371 0.1057
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.1188 0.1036
Echinococcus granulosus Nicastrin 0.0105 0.0785 0.0626
Echinococcus multilocularis microtubule associated protein 2 0.0721 1 1
Trypanosoma cruzi Aph-1 protein, putative 0.0199 0.2203 0.8895
Loa Loa (eye worm) steroid hormone receptor 0.0605 0.8263 0.9643
Loa Loa (eye worm) hypothetical protein 0.0315 0.3939 0.4597
Brugia malayi nuclear receptor NHR-88 0.0315 0.3939 0.4597
Brugia malayi Presenilin family protein 0.0215 0.243 0.2837
Brugia malayi hypothetical protein 0.0121 0.1035 0.1208
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0315 0.3939 0.4597
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Echinococcus multilocularis Nicastrin 0.0105 0.0785 0.0626
Schistosoma mansoni nuclear receptor 0.0121 0.1035 0.088
Giardia lamblia Histone deacetylase 0.0077 0.0371 0.5
Echinococcus granulosus histone deacetylase 3 0.0077 0.0371 0.0205
Schistosoma mansoni hypothetical protein 0.0105 0.0785 0.0626
Schistosoma mansoni thyroid hormone receptor 0.0447 0.5905 0.5835
Loa Loa (eye worm) hypothetical protein 0.0194 0.2126 0.2481
Schistosoma mansoni nuclear hormone receptor 0.0315 0.3939 0.3834
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.017 0.0183
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Trypanosoma brucei Aph-1 protein, putative 0.0199 0.2203 0.9012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0315 0.3939 0.4597
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0315 0.3939 0.3834
Onchocerca volvulus 0.0315 0.3939 0.3855
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0121 0.1035 0.088
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0315 0.3939 0.3855
Brugia malayi nuclear hormone receptor family member odr-7 0.0121 0.1035 0.1208
Echinococcus granulosus FTZ F1 alpha 0.0315 0.3939 0.3834
Brugia malayi ecdysteroid receptor 0.0625 0.8568 1
Brugia malayi Histone deacetylase 1 0.0077 0.0371 0.0433
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0315 0.3939 0.4597
Echinococcus granulosus Nuclear hormone receptor HR96 0.0121 0.1035 0.088
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0315 0.3939 0.3834
Brugia malayi gamma-secretase subunit aph-1 0.0512 0.6873 0.8021
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Loa Loa (eye worm) hypothetical protein 0.0194 0.2126 0.2481
Loa Loa (eye worm) hypothetical protein 0.0189 0.2041 0.2382
Schistosoma mansoni hypothetical protein 0.0131 0.1188 0.1036
Echinococcus granulosus Nuclear hormone receptor HR96 0.0121 0.1035 0.088
Echinococcus multilocularis FTZ F1 alpha 0.0315 0.3939 0.3834
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0418 0.5479 0.5401
Loa Loa (eye worm) hypothetical protein 0.0315 0.3939 0.4597
Echinococcus multilocularis presenilin 0.0215 0.243 0.23
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0315 0.3939 0.3834
Schistosoma mansoni histone deacetylase 0.0077 0.0371 0.0205
Brugia malayi photoreceptor-specific nuclear receptor 0.0315 0.3939 0.4597
Brugia malayi Nuclear hormone receptor-like 1 0.0194 0.2126 0.2481
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0215 0.243 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0315 0.3939 0.3834
Loa Loa (eye worm) nuclear hormone receptor 0.0121 0.1035 0.1208
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0201 0.2233 0.2606
Brugia malayi Nuclear hormone receptor E75 0.0121 0.1035 0.1208
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0215 0.243 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0315 0.3939 0.4597
Brugia malayi Presenilin spe-4 0.0075 0.0345 0.0403
Schistosoma mansoni nuclear receptor 0.0121 0.1035 0.088
Echinococcus multilocularis thyroid hormone receptor alpha 0.0447 0.5905 0.5835
Brugia malayi Presenilin spe-4 0.0075 0.0345 0.0403
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0121 0.1035 0.088
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0512 0.6873 0.8021
Schistosoma mansoni nuclear hormone receptor 0.0121 0.1035 0.088
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0315 0.3939 0.4597
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0315 0.3939 0.4597
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0315 0.3939 0.3834
Brugia malayi orphan nuclear receptor NR2E1 0.0121 0.1035 0.1208
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Trichomonas vaginalis Nicastrin precursor, putative 0.0105 0.0785 0.2012
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0215 0.243 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.017 0.5
Loa Loa (eye worm) hypothetical protein 0.0194 0.2126 0.2481
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0194 0.2126 0.2481
Loa Loa (eye worm) hypothetical protein 0.0315 0.3939 0.4597
Schistosoma mansoni gamma-secretase subunit aph-1 0.0512 0.6873 0.6819
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Echinococcus multilocularis Nicastrin 0.0105 0.0785 0.0626
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.0371 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.041 0.5358 0.5278
Echinococcus multilocularis histone deacetylase 3 0.0077 0.0371 0.0205
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.0371 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0315 0.3939 0.3834
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0315 0.3939 0.4597
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0315 0.3939 0.4597
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.017 0.5
Brugia malayi gamma-secretase subunit pen-2 0.0201 0.2233 0.2606
Loa Loa (eye worm) presenilin spe-4 0.0075 0.0345 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0315 0.3939 0.4597
Toxoplasma gondii hypothetical protein 0.0075 0.0345 0.894
Schistosoma mansoni nuclear receptor nhr-48 0.0121 0.1035 0.088
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Brugia malayi Presenilin-like protein At2g29900 0.0075 0.0345 0.0403
Loa Loa (eye worm) hypothetical protein 0.0625 0.8568 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0315 0.3939 0.4597
Schistosoma mansoni steroid hormone receptor ad4bp 0.0315 0.3939 0.3834
Brugia malayi ecdysone receptor 0.0121 0.1035 0.1208
Schistosoma mansoni zinc finger protein 0.0121 0.1035 0.088
Brugia malayi hypothetical protein 0.0075 0.0345 0.0403
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0121 0.1035 0.088
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.017 0.173
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0121 0.1035 0.088
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0315 0.3939 0.3834
Plasmodium falciparum histone deacetylase 1 0.0077 0.0371 0.5
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0215 0.243 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0189 0.2041 0.1336
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0315 0.3939 0.4597
Echinococcus multilocularis histone deacetylase 1 0.0077 0.0371 0.0205
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0194 0.2126 0.199
Loa Loa (eye worm) nuclear receptor NHR-67 0.0121 0.1035 0.1208
Schistosoma mansoni retinoic acid receptor RXR 0.0418 0.5479 0.5401
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0315 0.3939 0.3834
Onchocerca volvulus Bile acid receptor homolog 0.0625 0.8568 1
Echinococcus granulosus ecdysone induced protein 78C 0.0315 0.3939 0.3834
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0315 0.3939 0.4597
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0315 0.3939 0.3834
Loa Loa (eye worm) hypothetical protein 0.0105 0.0785 0.0917
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0315 0.3939 0.4597
Echinococcus granulosus presenilin 0.0215 0.243 0.23
Brugia malayi Nuclear hormone receptor-like 1 0.0315 0.3939 0.4597
Trypanosoma cruzi Aph-1 protein, putative 0.0199 0.2203 0.8895
Loa Loa (eye worm) hypothetical protein 0.0315 0.3939 0.4597
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0121 0.1035 0.1208
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.1188 0.1036
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0315 0.3939 0.4597
Loa Loa (eye worm) hypothetical protein 0.0315 0.3939 0.4597
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0194 0.2126 0.199
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0194 0.2126 0.199
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0315 0.3939 0.4597
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.0371 0.0433
Brugia malayi hypothetical protein 0.0075 0.0345 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0315 0.3939 0.4597
Schistosoma mansoni thyroid hormone receptor 0.0447 0.5905 0.5835
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0315 0.3939 0.4597
Brugia malayi hypothetical protein 0.0121 0.1035 0.1208
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.017 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0315 0.3939 0.3834
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0121 0.1035 0.088
Schistosoma mansoni RAR-like nuclear receptor 0.0315 0.3939 0.3834
Brugia malayi hypothetical protein 0.0105 0.0785 0.0917
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.0371 0.0433
Brugia malayi hypothetical protein 0.0194 0.2126 0.2481
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0315 0.3939 0.3834
Brugia malayi nuclear receptor RXR 0.0121 0.1035 0.1208
Echinococcus multilocularis nuclear receptor nhr 48 0.0121 0.1035 0.088
Brugia malayi conserved hypotetical protein 0.0121 0.1035 0.1208
Brugia malayi nuclear hormone receptor 0.0315 0.3939 0.4597
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0315 0.3939 0.3834
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.0371 0.0433
Brugia malayi nuclear receptor NHR-67 0.0121 0.1035 0.1208
Brugia malayi nuclear receptor NHR-88 0.0121 0.1035 0.1208
Echinococcus granulosus histone deacetylase 1 0.0077 0.0371 0.0205
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0121 0.1035 0.088
Echinococcus granulosus gamma secretase subunit aph 1 0.0512 0.6873 0.6819
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Loa Loa (eye worm) hypothetical protein 0.0194 0.2126 0.2481
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0315 0.3939 0.3834
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0315 0.3939 0.3834
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0194 0.2126 0.199
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0315 0.3939 0.4597
Brugia malayi Presenilin spe-4 0.0075 0.0345 0.0403
Trichomonas vaginalis Nicastrin precursor, putative 0.0105 0.0785 0.2012
Echinococcus multilocularis presenilin enhancer 2 0.0201 0.2233 0.2099
Brugia malayi Nuclear hormone receptor E75 0.0121 0.1035 0.1208
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0315 0.3939 0.4597
Onchocerca volvulus Protein ultraspiracle homolog 0.0315 0.3939 0.3855
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0215 0.243 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.017 0.5
Brugia malayi hypothetical protein 0.0105 0.0785 0.0917
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0121 0.1035 0.088
Trypanosoma brucei histone deacetylase 1 0.0077 0.0371 0.1057
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.0371 0.0433
Leishmania major histone deacetylase, putative 0.0077 0.0371 0.1057
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0215 0.243 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0315 0.3939 0.3834
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0121 0.1035 0.1208
Loa Loa (eye worm) DR-78 0.0121 0.1035 0.1208
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0224 0.2575 0.2446
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0121 0.1035 0.088
Schistosoma mansoni coup transcription factor 0.0315 0.3939 0.3834
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0215 0.243 0.23
Brugia malayi steroid hormone receptor 0.0605 0.8263 0.9643
Loa Loa (eye worm) hypothetical protein 0.0315 0.3939 0.4597
Loa Loa (eye worm) hypothetical protein 0.0077 0.0371 0.0433
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.0371 1
Brugia malayi hypothetical protein 0.0075 0.0345 0.0403
Loa Loa (eye worm) hypothetical protein 0.0315 0.3939 0.4597
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0315 0.3939 0.4597
Brugia malayi Steroid receptor seven-up type 2 0.0315 0.3939 0.4597
Schistosoma mansoni microtubule-associated protein tau 0.0721 1 1
Echinococcus multilocularis gamma secretase subunit aph 1 0.0512 0.6873 0.6819
Echinococcus granulosus presenilin enhancer 2 0.0201 0.2233 0.2099
Loa Loa (eye worm) hypothetical protein 0.0194 0.2126 0.2481
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0215 0.243 1
Brugia malayi N-terminal motif family protein 0.0189 0.2041 0.2382
Brugia malayi nuclear hormone receptor family member nhr-6 0.0121 0.1035 0.1208
Brugia malayi Nuclear hormone receptor-like 1 0.0194 0.2126 0.2481
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0315 0.3939 0.3834
Entamoeba histolytica presenilin 1 peptidase, putative 0.0215 0.243 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0315 0.3939 0.3834
Schistosoma mansoni histone deacetylase 0.0077 0.0371 0.0205
Loa Loa (eye worm) hypothetical protein 0.0121 0.1035 0.1208
Brugia malayi hypothetical protein 0.0194 0.2126 0.2481
Brugia malayi nuclear receptor RXR 0.0194 0.2126 0.2481
Brugia malayi tailless protein 0.0121 0.1035 0.1208
Schistosoma mansoni nuclear hormone receptor 0.0121 0.1035 0.088

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Apoptosis in human HCT116 cells ChEMBL. 17977726
Activity (functional) 0 Cell cycle arrest in HCT116 cells by accumulation at G2/M phase ChEMBL. 17977726
EC50 (functional) < 1 uM Induction of histone H4 acetylation in human T24 cells after 16 hrs by immunoblot relative to MS-275 ChEMBL. 17977726
EC50 (functional) = 2 uM Induction of p21WAF1/Cip1 expression in human T24 cells assessed as tubulin level after 16 hrs by Western blot analysis relative to MS-275 ChEMBL. 17977726
EC50 (functional) = 2 uM Induction of p21WAF1/Cip1 expression in human T24 cells assessed as tubulin level after 16 hrs by Western blot analysis relative to MS-275 ChEMBL. 17977726
IC50 (binding) = 0.1 uM Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells ChEMBL. 17977726
IC50 (binding) = 0.1 uM Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells ChEMBL. 17977726
IC50 (functional) = 0.6 uM Antiproliferative activity against human HCT116 cells by MTT assay ChEMBL. 17977726
IC50 (functional) = 0.6 uM Antiproliferative activity against human HCT116 cells by MTT assay ChEMBL. 17977726
IC50 (ADMET) = 8 uM Antiproliferative activity against human HMEC cells by MTT assay ChEMBL. 17977726
IC50 (ADMET) = 8 uM Antiproliferative activity against human HMEC cells by MTT assay ChEMBL. 17977726

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17977726

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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