Detailed information for compound 158661

Basic information

Technical information
  • TDR Targets ID: 158661
  • Name: (E)-3-[4-[(4-tert-butylphenyl)sulfonylamino]p henyl]-N-hydroxyprop-2-enamide
  • MW: 374.454 | Formula: C19H22N2O4S
  • H donors: 3 H acceptors: 4 LogP: 3.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)/C=C/c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C19H22N2O4S/c1-19(2,3)15-7-11-17(12-8-15)26(24,25)21-16-9-4-14(5-10-16)6-13-18(22)20-23/h4-13,21,23H,1-3H3,(H,20,22)/b13-6+
  • InChiKey: XXQMHYGLGPUUDQ-AWNIVKPZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]prop-2-enehydroxamic acid
  • (E)-3-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-2-propenehydroxamic acid
  • (E)-3-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-hydroxy-prop-2-enamide

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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Brugia malayi histone deacetylase 1 (HD1) 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
Brugia malayi histone deacetylase 3 (HD3) 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
Neospora caninum 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia 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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii 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
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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Brugia malayi Histone deacetylase 1 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
Echinococcus granulosus histone deacetylase 3 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
Loa Loa (eye worm) 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
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
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
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
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
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
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
Schistosoma mansoni histone deacetylase 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
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
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
Plasmodium falciparum histone deacetylase 1 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
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
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
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
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0362 0.1694
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2136 0.1309
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0362 0.0655
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0046 0.1144 0.5357
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.2136 1
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.2136 0.3869
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0046 0.1144 0.0213
Brugia malayi Histone deacetylase family protein 0.0022 0.0378 0.0685
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0378 0.1772
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0046 0.1144 0.0213
Loa Loa (eye worm) histone deacetylase 0.0022 0.0378 0.0685
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.1144 0.5357
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0362 0.0655
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0362 0.0655
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0362 0.1694
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.1144 0.5357
Brugia malayi hypothetical protein 0.0011 0.0039 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0362 0.0655
Loa Loa (eye worm) hypothetical protein 0.0077 0.2136 0.3869
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0952 0.4454
Echinococcus granulosus histone deacetylase 8 0.0022 0.0378 0.1772
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0362 0.0655
Loa Loa (eye worm) hypothetical protein 0.0069 0.1873 0.3391
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0362 0.0655
Echinococcus granulosus histone deacetylase 6 0.0022 0.0378 0.1772
Brugia malayi ecdysteroid receptor 0.0021 0.0362 0.0655
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0378 0.1772
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0362 0.1694
Brugia malayi Histone deacetylase family protein 0.0022 0.0378 0.0685
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Echinococcus granulosus histone deacetylase 6 0.0022 0.0378 0.1772
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2136 0.1309
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.2136 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0362 0.1694
Echinococcus multilocularis histone deacetylase 1 0.0077 0.2136 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0046 0.1144 0.0213
Plasmodium vivax ornithine aminotransferase, putative 0.0046 0.1144 0.4358
Loa Loa (eye worm) hypothetical protein 0.01 0.2889 0.5232
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0046 0.1144 0.4358
Schistosoma mansoni ap endonuclease 0.004 0.0952 0.4454
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0039 0.007
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0362 0.1694
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0362 0.0655
Echinococcus multilocularis GPCR, family 2 0.0032 0.0693 0.3245
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0362 0.1694
Brugia malayi N-terminal motif family protein 0.0183 0.5522 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.007
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0362 0.1694
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.2136 0.1309
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1191 0.5574
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Loa Loa (eye worm) histone deacetylase 11 0.0022 0.0378 0.0685
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0362 0.0655
Echinococcus granulosus histone deacetylase 6 0.0022 0.0378 0.1772
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0693 0.1255
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0378 0.1772
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0362 0.0655
Onchocerca volvulus Histone deacetylase 10 homolog 0.0022 0.0378 0.0685
Schistosoma mansoni hypothetical protein 0.0032 0.0693 0.3245
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.2889 0.5232
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0362 0.1694
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0362 0.0655
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0362 0.1694
Brugia malayi nuclear receptor RXR 0.0011 0.0039 0.007
Entamoeba histolytica histone deacetylase, putative 0.0077 0.2136 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0952 0.326
Onchocerca volvulus 0.0021 0.0362 0.0655
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0362 0.1694
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0046 0.1144 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0693 0.3245
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0362 0.1694
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0362 0.0655
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0693 0.3245
Schistosoma mansoni coup transcription factor 0.0021 0.0362 0.1694
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1191 0.5574
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0378 0.1772
Echinococcus multilocularis histone deacetylase 7 0.0022 0.0378 0.1772
Brugia malayi hypothetical protein 0.0011 0.0039 0.007
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2136 0.1309
Echinococcus granulosus ornithine aminotransferase 0.0046 0.1144 0.5357
Schistosoma mansoni histone deacetylase 0.0077 0.2136 1
Echinococcus granulosus histone deacetylase 1 0.0077 0.2136 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0046 0.1144 0.0213
Echinococcus granulosus histone deacetylase 7 0.0022 0.0378 0.1772
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0362 0.0655
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0039 0.007
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.2136 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1191 0.5574
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0362 0.1694
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1191 0.5574
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0362 0.0655
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0693 0.1255
Leishmania major histone deacetylase, putative 0.0077 0.2136 1
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0952 0.1723
Echinococcus granulosus histone deacetylase 0.0022 0.0378 0.1772
Brugia malayi Histone deacetylase 1 0.0077 0.2136 0.3869
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0693 0.3245
Toxoplasma gondii exonuclease III APE 0.004 0.0952 0.326
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0046 0.1144 0.0213
Loa Loa (eye worm) histone deacetylase 7A 0.0022 0.0378 0.0685
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0952 0.326
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0362 0.1694
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0039 0.0181
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.2136 0.3869
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.007
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0362 0.1694
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0362 0.1694
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0362 0.1694
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0362 0.1694
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0362 0.1694
Echinococcus multilocularis histone deacetylase 0.0022 0.0378 0.1772
Schistosoma mansoni hypothetical protein 0.0032 0.0693 0.3245
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0362 0.0655
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0362 0.0655
Mycobacterium ulcerans hypothetical protein 0.0323 1 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0046 0.1144 0.0213
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0952 0.1723
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0952 0.326
Mycobacterium ulcerans L-lysine aminotransferase 0.0046 0.1144 0.0213
Plasmodium falciparum ornithine aminotransferase 0.0046 0.1144 0.4358
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0362 0.0655
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0362 0.1694
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2136 0.1309
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.2136 0.1309
Loa Loa (eye worm) hypothetical protein 0.0183 0.5522 1
Mycobacterium ulcerans acetylornithine aminotransferase 0.0046 0.1144 0.0213
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0323 1 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0323 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0362 0.1694
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0362 0.0655
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1191 0.2157
Echinococcus granulosus GPCR family 2 0.0032 0.0693 0.3245
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0046 0.1144 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0362 0.0655
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0952 0.326
Loa Loa (eye worm) hypothetical protein 0.0022 0.0378 0.0685
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Echinococcus multilocularis histone deacetylase 8 0.0022 0.0378 0.1772
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.2136 0.3869
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0693 0.1255
Brugia malayi nuclear hormone receptor 0.0021 0.0362 0.0655
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.2136 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0693 0.3245
Echinococcus multilocularis histone deacetylase 3 0.0077 0.2136 1
Echinococcus granulosus histone deacetylase 3 0.0077 0.2136 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0362 0.0655
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0362 0.1694
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0039 0.0181
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0952 0.326
Loa Loa (eye worm) hypothetical protein 0.0021 0.0362 0.0655
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1191 0.2157
Echinococcus multilocularis Aminotransferase class III 0.0046 0.1144 0.5357
Trypanosoma brucei histone deacetylase 1 0.0077 0.2136 1
Schistosoma mansoni histone deacetylase 0.0077 0.2136 1
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.2136 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0039 0.0181
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0323 1 1
Brugia malayi steroid hormone receptor 0.0021 0.0362 0.0655
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0362 0.0655
Giardia lamblia Histone deacetylase 0.0077 0.2136 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0039 0.0181
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0362 0.1694
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0362 0.1694
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0952 0.4454
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0362 0.0655
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0362 0.1694
Brugia malayi histone deacetylase 11 0.0022 0.0378 0.0685
Schistosoma mansoni hypothetical protein 0.0032 0.0693 0.3245
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2136 0.1309
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0362 0.0655
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0362 0.0655
Schistosoma mansoni histone deacetylase 1 2 3 0.0022 0.0378 0.1772
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0046 0.1144 0.2073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1191 0.5574
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0362 0.1694
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.2889 0.5232
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0378 0.1772
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.2136 0.1309
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.007
Loa Loa (eye worm) hypothetical protein 0.0032 0.0693 0.1255
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0362 0.1694
Brugia malayi nuclear receptor NHR-88 0.0021 0.0362 0.0655
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.2889 0.5232
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.2136 0.3869
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.5522 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1191 0.5574
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0039 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0362 0.0655
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0362 0.1694
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0362 0.0655
Schistosoma mansoni hypothetical protein 0.0032 0.0693 0.3245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0362 0.0655
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0378 0.1772
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1191 0.5574
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0362 0.1694
Schistosoma mansoni ap endonuclease 0.004 0.0952 0.4454
Mycobacterium tuberculosis Probable aminotransferase 0.0323 1 1
Echinococcus granulosus Aminotransferase class III 0.0046 0.1144 0.5357
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0046 0.1144 0.0213
Plasmodium falciparum histone deacetylase 1 0.0077 0.2136 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0046 0.1144 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0362 0.1694
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.007
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0362 0.0655
Schistosoma mansoni hypothetical protein 0.0069 0.1873 0.8766
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2136 0.1309
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0378 0.1772
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1873 0.3391
Leishmania major histone deacetylase, putative 0.0077 0.2136 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0362 0.1694
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0952 0.326
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0952 0.5

Activities

Activity type Activity value Assay description Source Reference
EC (functional) = 5 uM The relative effective concentration of the compound to induce same level of histone H4 acetylation of human T24 cells by MS-275 at 1 uM ChEMBL. 12593661
EC50 (functional) = 0.8 uM In vitro antiproliferative activity against human colon cancer HCT 116 cells determined by MMT assay ChEMBL. 11597413
EC50 (functional) = 0.8 uM In vitro antiproliferative activity against human colon cancer HCT 116 cells determined by MMT assay ChEMBL. 11597413
EC50 (functional) = 5 uM Concentration of compound required for acetylation of histone-4 in human T24 cancer cells ChEMBL. 11597413
EC50 (functional) = 5 uM Concentration of compound required for acetylation of histone-4 in human T24 cancer cells ChEMBL. 11597413
IC50 (binding) = 200 nM Inhibition of Histone Deacetylase Enzymatic Assay BINDINGDB. No reference
IC50 (binding) = 0.1 uM In vitro inhibition of partially purified recombinant human Histone deacetylase 1 ChEMBL. 11597413
IC50 (binding) = 0.1 uM Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) ChEMBL. 12593661
IC50 (binding) = 0.1 uM In vitro inhibition of partially purified recombinant human Histone deacetylase 1 ChEMBL. 11597413
IC50 (binding) = 0.1 uM Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) ChEMBL. 12593661

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11597413

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

2 literature references were collected for this gene.

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