Detailed information for compound 159451

Basic information

Technical information
  • TDR Targets ID: 159451
  • Name: 3-[4-(benzenesulfonamido)phenyl]-N-hydroxy-2- methylpropanamide
  • MW: 334.39 | Formula: C16H18N2O4S
  • H donors: 3 H acceptors: 4 LogP: 2.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)C(Cc1ccc(cc1)NS(=O)(=O)c1ccccc1)C
  • InChi: 1S/C16H18N2O4S/c1-12(16(19)17-20)11-13-7-9-14(10-8-13)18-23(21,22)15-5-3-2-4-6-15/h2-10,12,18,20H,11H2,1H3,(H,17,19)
  • InChiKey: RKDXFSHFQNWESJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[4-(benzenesulfonamido)phenyl]-2-methyl-propanehydroxamic acid
  • 3-[4-(benzenesulfonamido)phenyl]-2-methylpropanehydroxamic acid
  • N-hydroxy-2-methyl-3-[4-(phenylsulfonylamino)phenyl]propanamide
  • 2-methyl-3-[4-(phenylsulfonylamino)phenyl]propanehydroxamic acid

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
Neospora caninum 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
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
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
Entamoeba histolytica 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
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 major 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
Echinococcus granulosus histone deacetylase 3 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
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
Cryptosporidium hominis 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
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_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
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma cruzi histone deacetylase 1, 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
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
Leishmania infantum 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
Brugia malayi 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
Leishmania donovani 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
Leishmania donovani 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
Toxoplasma gondii histone deacetylase HDAC2 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
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
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 vivax histone deacetylase 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
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis 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
Echinococcus multilocularis histone deacetylase 1 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
Schistosoma mansoni 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
Brugia malayi histone deacetylase 3 (HD3) 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
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
Brugia malayi histone deacetylase 1 (HD1) 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
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2563 0.2566 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis conserved hypothetical protein 0.392 0.4765 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.392 0.4765 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1357 0.0612 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1357 0.0612 0.5
Toxoplasma gondii hypothetical protein 0.0979 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.7152 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.3542 0.4152 1
Loa Loa (eye worm) hypothetical protein 0.7152 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.392 0.4765 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.392 0.4765 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.2563 0.2566 1
Toxoplasma gondii GAF domain-containing protein 0.0979 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2941 0.3178 0.667
Leishmania major hypothetical protein, conserved 0.2563 0.2566 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.2563 0.2566 0.6179
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Plasmodium vivax hypothetical protein, conserved 0.0979 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1357 0.0612 0.1285
Toxoplasma gondii hypothetical protein 0.0979 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.3542 0.4152 1
Plasmodium falciparum GAF domain-related protein, putative 0.0979 0 0.5
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.1357 0.0612 0.5
Toxoplasma gondii hypothetical protein 0.0979 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2563 0.2566 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Mycobacterium leprae conserved hypothetical protein 0.0979 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.1357 0.0612 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2941 0.3178 0.667
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1357 0.0612 0.1285

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 25 uM Inhibition of acetylation of histone-4 in human T-24 cancer cells ChEMBL. 14613312
EC50 (functional) > 25 uM Concentration of compound required for acetylation of histone-4 in human T24 cancer cells ChEMBL. 11597413
EC50 (functional) > 25 uM Inhibition of acetylation of histone-4 in human T-24 cancer cells ChEMBL. 14613312
EC50 (functional) > 25 uM Concentration of compound required for acetylation of histone-4 in human T24 cancer cells ChEMBL. 11597413
EC50 (functional) > 50 uM Inhibitory concentration against human colon cancer HCT116 cell proliferation ChEMBL. 14613312
EC50 (functional) > 50 uM In vitro antiproliferative activity against human colon cancer HCT 116 cells determined by MMT assay ChEMBL. 11597413
EC50 (functional) > 50 uM Inhibitory concentration against human colon cancer HCT116 cell proliferation ChEMBL. 14613312
EC50 (functional) > 50 uM In vitro antiproliferative activity against human colon cancer HCT 116 cells determined by MMT assay ChEMBL. 11597413
IC50 (binding) = 17000 nM Inhibition of Histone Deacetylase Enzymatic Assay BINDINGDB. No reference
IC50 (binding) = 17 uM Inhibitory concentration of the compound against human Histone deacetylase 1 ChEMBL. 14613312
IC50 (binding) = 17 uM In vitro inhibition of partially purified recombinant human Histone deacetylase 1 ChEMBL. 11597413
IC50 (binding) = 17 uM Inhibitory concentration of the compound against human Histone deacetylase 1 ChEMBL. 14613312
IC50 (binding) = 17 uM In vitro inhibition of partially purified recombinant human Histone deacetylase 1 ChEMBL. 11597413

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.