Detailed information for compound 1294255

Basic information

Technical information
  • TDR Targets ID: 1294255
  • Name: 2-(2,4-dichlorophenoxy)-N-methyl-N-phenylprop anamide
  • MW: 324.202 | Formula: C16H15Cl2NO2
  • H donors: 0 H acceptors: 1 LogP: 4.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)OC(C(=O)N(c1ccccc1)C)C
  • InChi: 1S/C16H15Cl2NO2/c1-11(21-15-9-8-12(17)10-14(15)18)16(20)19(2)13-6-4-3-5-7-13/h3-11H,1-2H3
  • InChiKey: POMYIBVHSIQNLF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,4-dichlorophenoxy)-N-methyl-N-phenyl-propanamide
  • 2-(2,4-dichlorophenoxy)-N-methyl-N-phenyl-propionamide
  • STK128589
  • MLS000675774
  • SMR000292162

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.3078 0.6257
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.6942 0.6942
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2121 0.391
Loa Loa (eye worm) hypothetical protein 0.006 0.1949 0.1949
Brugia malayi hypoxia-induced factor 1 0.0155 0.9028 0.9028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4605 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.4605 1
Entamoeba histolytica hypothetical protein 0.0075 0.3078 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.6942 0.6942
Mycobacterium ulcerans putative regulatory protein 0.0037 0.0221 0.104
Schistosoma mansoni hypothetical protein 0.0075 0.3078 0.6257
Entamoeba histolytica hypothetical protein 0.0075 0.3078 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1949 0.1949
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0526 0.0526
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4605 1
Onchocerca volvulus 0.0037 0.0221 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1949 0.1949
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1949 0.1949
Loa Loa (eye worm) hypothetical protein 0.0041 0.0526 0.0526
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.4605 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.3078 0.6518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.4605 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.2121 0.4334
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2121 0.391
Brugia malayi Cytochrome P450 family protein 0.0064 0.226 0.226
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2121 1
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0221 0.0221
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.3078 0.6518
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.1193 0.1634
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.226 0.226
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.4605 0.4605
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.4605 0.4605
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2121 1
Brugia malayi MH2 domain containing protein 0.0127 0.6942 0.6942
Entamoeba histolytica hypothetical protein 0.0075 0.3078 0.5
Schistosoma mansoni single-minded 0.005 0.1193 0.1634
Entamoeba histolytica hypothetical protein 0.0075 0.3078 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.2121 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.4605 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.2121 0.4334
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.2121 1
Brugia malayi hypothetical protein 0.0075 0.3078 0.3078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4605 1
Brugia malayi PAS domain containing protein 0.005 0.1193 0.1193
Loa Loa (eye worm) hypoxia-induced factor 1 0.0155 0.9028 0.9028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2121 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.2121 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 28.1838 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 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) 100 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
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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