Detailed information for compound 1244148

Basic information

Technical information
  • TDR Targets ID: 1244148
  • Name: methyl 4-[3-(3,4,5-trimethoxyphenyl)propanoyl oxy]benzoate
  • MW: 374.384 | Formula: C20H22O7
  • H donors: 0 H acceptors: 2 LogP: 3.33 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)OC(=O)CCc1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C20H22O7/c1-23-16-11-13(12-17(24-2)19(16)25-3)5-10-18(21)27-15-8-6-14(7-9-15)20(22)26-4/h6-9,11-12H,5,10H2,1-4H3
  • InChiKey: LJHOSUUWZPGKPW-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[1-oxo-3-(3,4,5-trimethoxyphenyl)propoxy]benzoic acid methyl ester
  • 4-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]benzoic acid methyl ester
  • T5416580
  • SMR000384827
  • MLS001007649
  • ZINC03560721

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
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 1 1
Schistosoma mansoni DNA polymerase eta 0.0021 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 1 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0021 1 1
Onchocerca volvulus 0.0011 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 1 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 1 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0021 1 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0011 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Leishmania major DNA polymerase kappa, putative 0.0021 1 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 1 1
Giardia lamblia DINP protein human, muc B family 0.0021 1 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 1 0.5
Leishmania major DNA polymerase eta, putative 0.0021 1 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0021 1 0.5
Echinococcus granulosus dna polymerase kappa 0.0021 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Echinococcus multilocularis dna polymerase eta 0.0021 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 1 1
Echinococcus granulosus dna polymerase eta 0.0021 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 1 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 1 0.5
Echinococcus multilocularis dna polymerase kappa 0.0021 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 1 0.5
Trypanosoma brucei unspecified product 0.0021 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6535 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 (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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.
 
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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