Detailed information for compound 1256775

Basic information

Technical information
  • TDR Targets ID: 1256775
  • Name: 4-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl ]benzamide
  • MW: 324.374 | Formula: C19H20N2O3
  • H donors: 2 H acceptors: 1 LogP: 3.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NCCc1c[nH]c2c1cc(OC)cc2
  • InChi: 1S/C19H20N2O3/c1-23-15-5-3-13(4-6-15)19(22)20-10-9-14-12-21-18-8-7-16(24-2)11-17(14)18/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
  • InChiKey: WTDIADWOMRXTEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Bionet2_001270
  • Oprea1_627554
  • 8W-0818
  • Oprea1_107463

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
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0463 0.5479 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0592 0.108
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0172 0.0812
Echinococcus granulosus geminin 0.0167 0.1509 0.2755
Echinococcus multilocularis geminin 0.0167 0.1509 0.1509
Loa Loa (eye worm) hypothetical protein 0.0099 0.0592 0.108
Loa Loa (eye worm) hypothetical protein 0.0067 0.0172 0.0315
Brugia malayi hypothetical protein 0.0213 0.2123 1
Schistosoma mansoni hypothetical protein 0.0167 0.1509 0.2755
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0463 0.5479 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0463 0.5479 0.5479
Schistosoma mansoni hypothetical protein 0.0167 0.1509 0.2755
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0592 0.2788
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0592 0.2788
Echinococcus granulosus leukotriene A 4 hydrolase 0.0463 0.5479 1
Schistosoma mansoni hypothetical protein 0.0067 0.0172 0.0315

Activities

Activity type Activity value Assay description Source 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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

No literature references available for this target.

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