Detailed information for compound 1290412

Basic information

Technical information
  • TDR Targets ID: 1290412
  • Name: methyl 2-(2,4,5-trichlorophenoxy)acetate
  • MW: 269.509 | Formula: C9H7Cl3O3
  • H donors: 0 H acceptors: 1 LogP: 3.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)COc1cc(Cl)c(cc1Cl)Cl
  • InChi: 1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3
  • InChiKey: JUCNGUOYQGHBJC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,4,5-trichlorophenoxy)acetic acid methyl ester
  • methyl 2-(2,4,5-trichlorophenoxy)ethanoate
  • 1928-37-6
  • Spectrum3_000838
  • SpecPlus_000476
  • NCGC00095768-01
  • 45668_RIEDEL
  • 2,4,5-T Methyl ester
  • 2,4,5-T, METHYL ESTER
  • 2,4,5-Trichlorophenoxyacetic acid methyl ester
  • Acetic acid, (2,4,5-trichlorophenoxy)-, methyl ester (8CI)(9CI)
  • EINECS 217-669-1
  • Methyl (2,4,5-trichlorophenoxy)acetate
  • Methyl 2,4,5-trichlorophenoxyacetate
  • NSC 190451
  • Spectrum2_001850
  • KBio1_001516
  • Spectrum4_000678
  • KBioSS_002382
  • Spectrum_001865
  • SPBio_001640
  • KBioGR_001115
  • DivK1c_006572
  • BSPBio_002395
  • KBio2_002378
  • KBio2_004946
  • KBio2_007514
  • Acetic acid, (2,4,5-trichlorophenoxy)-, methyl ester
  • NSC190451
  • Spectrum5_001990
  • SPECTRUM330046
  • KBio3_001895

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus granulosus lamin 0.0033 0.3959 0.4757
Entamoeba histolytica hypothetical protein 0.004 0.5946 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.5946 0.7168
Schistosoma mansoni intermediate filament proteins 0.0033 0.3959 0.4757
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.8278 0.8278
Brugia malayi intermediate filament protein 0.0033 0.3959 0.3959
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.8278 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.8278 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.5946 0.7168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.8278 1
Entamoeba histolytica hypothetical protein 0.004 0.5946 0.5
Onchocerca volvulus 0.0033 0.3959 0.5
Brugia malayi hypothetical protein 0.004 0.5946 0.5946
Echinococcus multilocularis lamin 0.0033 0.3959 0.4757
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.8278 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.539 0.539
Echinococcus multilocularis musashi 0.0033 0.3959 0.4757
Loa Loa (eye worm) intermediate filament protein 0.0033 0.3959 0.3959
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.8278 0.8278
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.8278 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.3959 0.3959
Schistosoma mansoni hypothetical protein 0.0038 0.539 0.6494
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.8278 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.3803 0.3803
Entamoeba histolytica hypothetical protein 0.004 0.5946 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.3959 0.4757
Schistosoma mansoni transcription factor LCR-F1 0.004 0.5946 0.7168
Loa Loa (eye worm) hypothetical protein 0.0018 0.0041 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0033 0.3959 0.3959
Schistosoma mansoni lamin 0.0033 0.3959 0.4757
Loa Loa (eye worm) hypothetical protein 0.0038 0.539 0.539
Echinococcus multilocularis lamin dm0 0.0033 0.3959 0.4757
Onchocerca volvulus 0.0033 0.3959 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0041 0.0041
Schistosoma mansoni lamin 0.0033 0.3959 0.4757
Schistosoma mansoni hypothetical protein 0.004 0.5946 0.7168
Echinococcus granulosus lamin dm0 0.0033 0.3959 0.4757
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0041 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.8278 1
Entamoeba histolytica hypothetical protein 0.004 0.5946 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.3959 0.3959

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 98.008295 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 116.4446926 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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

1 literature reference was collected for this gene.

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