Detailed information for compound 1456810

Basic information

Technical information
  • TDR Targets ID: 1456810
  • Name: 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide
  • MW: 307.143 | Formula: C13H11BrN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccncc1)COc1ccc(cc1)Br
  • InChi: 1S/C13H11BrN2O2/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11/h1-8H,9H2,(H,15,16,17)
  • InChiKey: RTLXCQJPRJXRMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-bromophenoxy)-N-(4-pyridyl)acetamide
  • 2-(4-bromophenoxy)-N-pyridin-4-yl-ethanamide
  • 2-(4-bromophenoxy)-N-4-pyridinylacetamide
  • BIM-0048487.P001
  • CBMicro_048391
  • MLS000533544
  • Oprea1_202243
  • SMR000140982
  • STK042462
  • ZINC00195349

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.2128 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0314 0.6268 0.6268
Brugia malayi Pax transcription factor protein 2 0.0264 0.5221 0.5221
Entamoeba histolytica hypothetical protein 0.0043 0.0598 0.5
Onchocerca volvulus 0.0043 0.0599 0.1147
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0599 0.1565
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0598 0.1429
Onchocerca volvulus 0.0043 0.0599 0.1147
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.2128 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0599 0.1565
Loa Loa (eye worm) hypothetical protein 0.0043 0.0599 0.0599
Brugia malayi isocitrate dehydrogenase 0.0116 0.2128 0.2128
Loa Loa (eye worm) pax transcription factor protein 2 0.0264 0.5221 0.5221
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0599 0.143
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0116 0.2128 1
Loa Loa (eye worm) Smad1 0.0033 0.0389 0.0389
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.1769 0.4625
Echinococcus multilocularis Smad4 0.0033 0.0389 0.1016
Echinococcus multilocularis GPCR, family 2 0.0099 0.1769 0.4625
Brugia malayi beta-lactamase family protein 0.0043 0.0599 0.0599
Echinococcus granulosus smad 0.0033 0.0389 0.1016
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0599 0.5
Brugia malayi MH1 domain containing protein 0.0019 0.0075 0.0075
Toxoplasma gondii ABC1 family protein 0.0043 0.0599 0.1789
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0599 0.1789
Trichomonas vaginalis esterase, putative 0.0043 0.0599 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0599 0.1789
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.1769 0.4625
Schistosoma mansoni hypothetical protein 0.0099 0.1769 0.4225
Toxoplasma gondii isocitrate dehydrogenase 0.0116 0.2128 1
Echinococcus granulosus Smad4 0.0033 0.0389 0.1016
Mycobacterium ulcerans beta-lactamase 0.0043 0.0599 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0599 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0116 0.2128 0.5563
Loa Loa (eye worm) transcription factor SMAD2 0.0491 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.1769 0.1769
Entamoeba histolytica hypothetical protein 0.0043 0.0598 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0116 0.2128 1
Schistosoma mansoni hypothetical protein 0.0099 0.1769 0.4225
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5517 1
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3824 0.9137
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3824 0.9137
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0599 0.143
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0599 0.5
Brugia malayi beta-lactamase 0.0043 0.0599 0.0599
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0116 0.2128 1
Entamoeba histolytica hypothetical protein 0.0043 0.0598 0.5
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3824 0.9137
Loa Loa (eye worm) hypothetical protein 0.0019 0.0075 0.0075
Echinococcus granulosus GPCR family 2 0.0099 0.1769 0.4625
Brugia malayi MH2 domain containing protein 0.0033 0.0389 0.0389
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0116 0.2128 0.3108
Brugia malayi RNA binding protein 0.0197 0.3824 0.3824
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.3824 0.3824
Schistosoma mansoni hypothetical protein 0.0099 0.1769 0.4225
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.2128 0.5563
Loa Loa (eye worm) hypothetical protein 0.0043 0.0599 0.0599
Onchocerca volvulus 0.0264 0.5221 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0599 0.1789
Mycobacterium ulcerans hypothetical protein 0.0043 0.0599 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0389 0.0389
Echinococcus multilocularis tar DNA binding protein 0.0197 0.3824 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0599 0.5
Loa Loa (eye worm) nuclear factor I 0.0019 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0214 0.4186 1
Echinococcus multilocularis smad 0.0033 0.0389 0.1016
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.2128 0.5563
Entamoeba histolytica hypothetical protein 0.0043 0.0598 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0599 0.0599
Schistosoma mansoni hypothetical protein 0.0043 0.0598 0.1429
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.3396 0.6504
Loa Loa (eye worm) hypothetical protein 0.0028 0.0266 0.0266
Brugia malayi MH1 domain containing protein 0.0019 0.0075 0.0075
Brugia malayi hypothetical protein 0.0028 0.0266 0.0266
Onchocerca volvulus 0.0043 0.0599 0.1147
Loa Loa (eye worm) hypothetical protein 0.0043 0.0599 0.0599
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.1769 0.4625
Brugia malayi beta-lactamase family protein 0.0043 0.0599 0.0599
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0389 0.1016
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0599 0.5
Schistosoma mansoni smad1 5 8 and 0.0033 0.0389 0.0929
Toxoplasma gondii isocitrate dehydrogenase 0.0116 0.2128 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0116 0.2128 0.5563
Brugia malayi MH2 domain containing protein 0.0033 0.0389 0.0389
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3824 0.9137
Loa Loa (eye worm) MH2 domain-containing protein 0.0491 1 1
Schistosoma mansoni Smad4 0.0033 0.0389 0.0929
Brugia malayi Smad1 0.0033 0.0389 0.0389
Brugia malayi TAR-binding protein 0.0197 0.3824 0.3824
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0116 0.2128 0.5083
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0599 0.5
Brugia malayi Isocitrate dehydrogenase 0.0116 0.2128 0.2128
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0389 0.1016
Schistosoma mansoni smad1 5 8 and 0.0033 0.0389 0.0929
Brugia malayi hypothetical protein 0.0018 0.006 0.006
Brugia malayi MH1 domain containing protein 0.0033 0.0389 0.0389
Echinococcus granulosus tar DNA binding protein 0.0197 0.3824 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0599 0.0599
Brugia malayi Calcitonin receptor-like protein seb-1 0.0314 0.6268 0.6268
Brugia malayi hypothetical protein 0.0043 0.0598 0.0598
Loa Loa (eye worm) hypothetical protein 0.0099 0.1769 0.1769
Brugia malayi Latrophilin receptor protein 2 0.0099 0.1769 0.1769
Loa Loa (eye worm) RNA binding protein 0.0197 0.3824 0.3824
Loa Loa (eye worm) TAR-binding protein 0.0197 0.3824 0.3824
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0598 0.1564
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0599 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0214 0.4186 0.4186
Brugia malayi N-terminal motif family protein 0.0177 0.3396 0.3396
Echinococcus multilocularis isocitrate dehydrogenase 0.0116 0.2128 0.5563
Schistosoma mansoni smad1 5 8 and 0.0033 0.0389 0.0929
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0599 0.0599
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0598 0.1564
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0389 0.1016
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.1769 0.4625
Leishmania major hypothetical protein, conserved 0.0043 0.0599 0.1789
Schistosoma mansoni hypothetical protein 0.0099 0.1769 0.4225
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0599 0.0599
Loa Loa (eye worm) hypothetical protein 0.0177 0.3396 0.3396
Brugia malayi MH1 domain containing protein 0.0033 0.0389 0.0389
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0389 0.1016
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0389 0.0929
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.2128 0.5563
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0214 0.4186 0.4186
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.2128 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0116 0.2128 0.2128
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3824 0.9137
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0314 0.6268 0.6268
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0599 0.1789
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0599 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.1769 0.1769
Mycobacterium ulcerans lipase LipD 0.0043 0.0599 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0599 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0599 0.0599
Loa Loa (eye worm) hypothetical protein 0.0314 0.6268 0.6268
Schistosoma mansoni smad 0.0033 0.0389 0.0929
Loa Loa (eye worm) hypothetical protein 0.0043 0.0599 0.0599
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0116 0.2128 1
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.3824 0.3824

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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