Detailed information for compound 1388230

Basic information

Technical information
  • TDR Targets ID: 1388230
  • Name: 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-met hylphenyl)urea
  • MW: 323.389 | Formula: C19H21N3O2
  • H donors: 3 H acceptors: 1 LogP: 3.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(CCNC(=O)Nc1ccccc1C)c[nH]2
  • InChi: 1S/C19H21N3O2/c1-13-5-3-4-6-17(13)22-19(23)20-10-9-14-12-21-18-8-7-15(24-2)11-16(14)18/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,22,23)
  • InChiKey: LEDTYLMOSGNQRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(2-methylphenyl)urea
  • SMR000498439
  • ZINC02882268
  • NCGC00101990-01
  • MLS001162962

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysteroid receptor 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0796 0.1071
Brugia malayi nuclear hormone receptor 0.0235 0.7436 1
Schistosoma mansoni coup transcription factor 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0235 0.7436 1
Schistosoma mansoni retinoic acid receptor RXR 0.0235 0.7436 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0796 0.1071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0235 0.7436 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0235 0.7436 1
Loa Loa (eye worm) steroid hormone receptor 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0235 0.7436 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0124 0.0796 0.1071
Echinococcus granulosus FTZ F1 alpha 0.0235 0.7436 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0235 0.7436 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0235 0.7436 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0235 0.7436 1
Brugia malayi nuclear receptor RXR 0.0124 0.0796 0.1071
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0235 0.7436 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor-like 1 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0235 0.7436 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0235 0.7436 1
Onchocerca volvulus Bile acid receptor homolog 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor-like 1 0.0124 0.0796 0.1071
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0124 0.0796 0.1071
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0235 0.7436 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0235 0.7436 1
Brugia malayi hypothetical protein 0.0124 0.0796 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0235 0.7436 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0235 0.7436 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0235 0.7436 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0235 0.7436 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0235 0.7436 1
Brugia malayi steroid hormone receptor 0.0235 0.7436 1
Schistosoma mansoni thyroid hormone receptor 0.0235 0.7436 1
Brugia malayi hypothetical protein 0.0124 0.0796 0.1071
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0235 0.7436 1
Schistosoma mansoni RAR-like nuclear receptor 0.0235 0.7436 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0796 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0235 0.7436 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0124 0.0796 0.1071
Echinococcus multilocularis FTZ F1 alpha 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Schistosoma mansoni thyroid hormone receptor 0.0235 0.7436 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0235 0.7436 1
Echinococcus granulosus ecdysone induced protein 78C 0.0235 0.7436 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0235 0.7436 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0235 0.7436 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0235 0.7436 1
Brugia malayi nuclear receptor NHR-88 0.0235 0.7436 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7436 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0235 0.7436 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0235 0.7436 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0124 0.0796 0.1071
Echinococcus multilocularis ecdysone induced protein 78C 0.0235 0.7436 1
Onchocerca volvulus 0.0235 0.7436 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0124 0.0796 0.1071
Brugia malayi Steroid receptor seven-up type 2 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0235 0.7436 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0235 0.7436 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0235 0.7436 1
Brugia malayi Nuclear hormone receptor-like 1 0.0124 0.0796 0.1071
Loa Loa (eye worm) hypothetical protein 0.0124 0.0796 0.1071
Loa Loa (eye worm) hypothetical protein 0.0124 0.0796 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0235 0.7436 1
Schistosoma mansoni nuclear hormone receptor 0.0235 0.7436 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0235 0.7436 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0235 0.7436 1

Activities

Activity type Activity value Assay description Source 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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