Detailed information for compound 822851

Basic information

Technical information
  • TDR Targets ID: 822851
  • Name: 2-(4-bromophenoxy)-N-(phenylmethyl)-N-pyridin -2-ylacetamide
  • MW: 397.265 | Formula: C20H17BrN2O2
  • H donors: 0 H acceptors: 2 LogP: 4.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)OCC(=O)N(c1ccccn1)Cc1ccccc1
  • InChi: 1S/C20H17BrN2O2/c21-17-9-11-18(12-10-17)25-15-20(24)23(19-8-4-5-13-22-19)14-16-6-2-1-3-7-16/h1-13H,14-15H2
  • InChiKey: LQCZEGYLXFAWLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-bromophenoxy)-N-(phenylmethyl)-N-(2-pyridyl)acetamide
  • N-(benzyl)-2-(4-bromophenoxy)-N-(2-pyridyl)acetamide
  • 2-(4-bromophenoxy)-N-(phenylmethyl)-N-pyridin-2-yl-ethanamide
  • ZINC02694958
  • MLS000676822
  • N-benzyl-2-(4-bromophenoxy)-N-2-pyridinylacetamide
  • SMR000271832

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Onchocerca volvulus Huntingtin homolog 0.0127 0.1349 0.3896
Loa Loa (eye worm) hypothetical protein 0.0127 0.1349 0.1349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0381 0.4899 0.4899
Plasmodium vivax SET domain protein, putative 0.0031 0 0.5
Onchocerca volvulus 0.0246 0.3015 0.8705
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0745 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0745 1 1
Brugia malayi hypothetical protein 0.0127 0.1349 0.1349
Leishmania major C-8 sterol isomerase-like protein 0.0745 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0246 0.3015 0.5
Onchocerca volvulus 0.0278 0.3463 1
Loa Loa (eye worm) hypothetical protein 0.0745 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0 0.5
Brugia malayi Pre-SET motif family protein 0.0216 0.2596 0.2596
Loa Loa (eye worm) hypothetical protein 0.0127 0.1349 0.1349
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.2596 0.2596
Onchocerca volvulus Huntingtin homolog 0.0127 0.1349 0.3896

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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