Detailed information for compound 263602

Basic information

Technical information
  • TDR Targets ID: 263602
  • Name: N-hydroxy-2-phenylacetamide
  • MW: 151.163 | Formula: C8H9NO2
  • H donors: 2 H acceptors: 2 LogP: 0.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)Cc1ccccc1
  • InChi: 1S/C8H9NO2/c10-8(9-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
  • InChiKey: FPOQLQZHRCEVOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-phenylethanehydroxamic acid
  • N-hydroxy-2-phenyl-ethanamide
  • 5330-97-2
  • AD-266/40386900
  • NCGC00095226-01
  • NCGC00095226-02
  • Spectrum2_001716
  • ZINC00332027
  • Spectrum3_001684
  • KBio3_002428
  • SPECTRUM210031
  • BSPBio_003208
  • NSC2544
  • SPBio_001732

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 8 Starlite/ChEMBL References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoic acid receptor RXR 0.017 0.4751 0.4751
Schistosoma mansoni histone deacetylase 4 5 0.0241 0.9499 0.9499
Echinococcus granulosus nuclear receptor 2DBD gamma 0.017 0.4751 0.2626
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Onchocerca volvulus 0.017 0.4751 0.5
Echinococcus multilocularis histone deacetylase 6 0.0241 0.9499 0.9296
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.017 0.4751 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.017 0.4751 0.2626
Trypanosoma cruzi histone deacetylase, putative 0.0241 0.9499 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0241 0.9499 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.017 0.4751 0.4751
Leishmania major histone deacetylase, putative 0.0241 0.9499 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.017 0.4751 0.1954
Onchocerca volvulus Bile acid receptor homolog 0.017 0.4751 0.5
Echinococcus multilocularis histone deacetylase 6 0.0241 0.9499 0.9296
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.017 0.4751 0.2626
Schistosoma mansoni histone deacetylase 4 5 0.0241 0.9499 0.9499
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.017 0.4751 0.2626
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.017 0.4751 0.4751
Echinococcus multilocularis FTZ F1 alpha 0.017 0.4751 0.2626
Trypanosoma brucei histone deacetylase 3 0.0241 0.9499 0.5
Echinococcus granulosus histone deacetylase 7 0.0241 0.9499 0.9296
Trypanosoma brucei histone deacetylase 4 0.0241 0.9499 0.5
Loa Loa (eye worm) histone deacetylase 0.0241 0.9499 1
Leishmania major histone deacetylase, putative 0.0241 0.9499 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.017 0.4751 0.2626
Loa Loa (eye worm) steroid hormone receptor 0.017 0.4751 0.1954
Schistosoma mansoni retinoid-x-receptor (RXR) 0.017 0.4751 0.4751
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.017 0.4751 0.2626
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.017 0.4751 0.1954
Echinococcus granulosus histone deacetylase 6 0.0241 0.9499 0.9296
Plasmodium vivax histone deacetylase, putative 0.0241 0.9499 0.5
Schistosoma mansoni thyroid hormone receptor 0.017 0.4751 0.4751
Schistosoma mansoni lipoxygenase 0.0142 0.2883 0.2883
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.017 0.4751 0.2626
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.017 0.4751 0.2626
Plasmodium falciparum histone deacetylase, putative 0.0241 0.9499 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Echinococcus granulosus FTZ F1 alpha 0.017 0.4751 0.2626
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.017 0.4751 0.1954
Trypanosoma cruzi histone deacetylase, putative 0.0241 0.9499 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.017 0.4751 0.1954
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.017 0.4751 0.2626
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.017 0.4751 0.4751
Echinococcus multilocularis histone deacetylase 7 0.0241 0.9499 0.9296
Schistosoma mansoni coup transcription factor 0.017 0.4751 0.4751
Schistosoma mansoni RAR-like nuclear receptor 0.017 0.4751 0.4751
Schistosoma mansoni histone deacetylase hda2 0.0248 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.017 0.4751 0.1954
Echinococcus multilocularis histone deacetylase 0.0241 0.9499 0.9296
Plasmodium falciparum histone deacetylase 2 0.0241 0.9499 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Brugia malayi Histone deacetylase family protein 0.0241 0.9499 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.017 0.4751 0.2626
Onchocerca volvulus Protein ultraspiracle homolog 0.017 0.4751 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.017 0.4751 0.2626
Loa Loa (eye worm) hypothetical protein 0.017 0.4751 0.1954
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.017 0.4751 0.1954
Schistosoma mansoni thyroid hormone receptor 0.017 0.4751 0.4751
Trypanosoma brucei histone deacetylase, putative 0.0241 0.9499 0.5
Loa Loa (eye worm) histone deacetylase 7A 0.0241 0.9499 1
Echinococcus multilocularis histone deacetylase 6 0.0248 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0241 0.9499 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.017 0.4751 0.2626
Schistosoma mansoni steroid hormone receptor ad4bp 0.017 0.4751 0.4751
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.017 0.4751 0.2626
Echinococcus granulosus histone deacetylase 0.0241 0.9499 0.9296
Toxoplasma gondii histone deacetylase HDAC1 0.0241 0.9499 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.017 0.4751 0.4751
Echinococcus multilocularis ecdysone induced protein 78C 0.017 0.4751 0.2626
Echinococcus granulosus ecdysone induced protein 78C 0.017 0.4751 0.2626
Echinococcus granulosus histone deacetylase 6 0.0241 0.9499 0.9296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.017 0.4751 0.1954
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.017 0.4751 0.4751
Brugia malayi Histone deacetylase family protein 0.0241 0.9499 1
Schistosoma mansoni nuclear hormone receptor 0.017 0.4751 0.4751
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.017 0.4751 0.2626
Loa Loa (eye worm) hypothetical protein 0.0161 0.41 0.0849

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.8 Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1) ChEMBL. 2308149
IC50 (binding) = 1.1 uM Inhibition of HDAC6 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay ChEMBL. 23368884
IC50 (binding) = 11.62 uM Inhibition of HDAC8 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay ChEMBL. 23368884
IC50 (binding) > 33.33 uM Inhibition of HDAC4 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay ChEMBL. 23368884
IC50 (binding) > 33.33 uM Inhibition of HDAC2 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay ChEMBL. 23368884
IC50 (binding) = 300 uM In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1) ChEMBL. 2308149
IC50 (binding) = 300 uM In vitro inhibitory activity against RBL-1 5-LO ChEMBL. 3820229
IC50 (binding) = 300 uM In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1) ChEMBL. 2308149
IC50 (binding) = 300 uM In vitro inhibitory activity against RBL-1 5-LO ChEMBL. 3820229
Inhibition (binding) = 0 % Inhibition of human HDAC extracted from human HeLa cells at 10 uM ChEMBL. 20017493
Inhibition (binding) = 0 % Inhibition of human HDAC extracted from human HeLa cells at 1 uM ChEMBL. 20017493
Inhibition (binding) = 0 % Inhibition of human HDAC extracted from human HeLa cells at 0.1 uM ChEMBL. 20017493
Inhibition (ADMET) = 58.45762928 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 75.25357325 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Log 1/IC50 (binding) = 6.8 Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1) ChEMBL. 2308149
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference

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

5 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.