Detailed information for compound 1369838

Basic information

Technical information
  • TDR Targets ID: 1369838
  • Name: methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3- carboxylate
  • MW: 325.358 | Formula: C19H19NO4
  • H donors: 0 H acceptors: 1 LogP: 3.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cn(c2c1cccc2)CCOc1ccccc1OC
  • InChi: 1S/C19H19NO4/c1-22-17-9-5-6-10-18(17)24-12-11-20-13-15(19(21)23-2)14-7-3-4-8-16(14)20/h3-10,13H,11-12H2,1-2H3
  • InChiKey: NIBOQZCDCNIISB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-(2-methoxyphenoxy)ethyl]-3-indolecarboxylic acid methyl ester
  • 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylic acid methyl ester
  • BAS 07211675
  • SMR000120103
  • ZINC00555875
  • MLS000122699
  • 1-[2-(2-Methoxy-phenoxy)-ethyl]-1H-indole-3-carboxylic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0206 0.0206
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0206 0.0206
Loa Loa (eye worm) TAR-binding protein 0.0076 0.251 0.251
Onchocerca volvulus 0.0058 0.1856 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0206 0.029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Loa Loa (eye worm) Smad1 0.001 0.0121 0.0121
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Brugia malayi MH2 domain containing protein 0.001 0.0121 0.0121
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0206 0.0206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0206 0.0206
Schistosoma mansoni hypothetical protein 0.0205 0.71 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0206 0.0206
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0121 0.017
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0206 0.0206
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0206 0.0206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0206 0.0206
Schistosoma mansoni smad 0.001 0.0121 0.017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1748 0.2462
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0121 0.0121
Echinococcus multilocularis smad 0.001 0.0121 0.0121
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0206 0.029
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.251 0.251
Schistosoma mansoni coup transcription factor 0.0012 0.0206 0.029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1748 0.2462
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0121 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1748 0.1748
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0206 0.0206
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0121 0.0121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0206 0.0206
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0206 0.0206
Echinococcus granulosus smad 0.001 0.0121 0.0121
Echinococcus granulosus Smad4 0.001 0.0121 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0206 0.0206
Brugia malayi RNA binding protein 0.0076 0.251 0.251
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1748 0.1748
Brugia malayi steroid hormone receptor 0.0012 0.0206 0.0206
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0206 0.0206
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0206 0.029
Brugia malayi TAR-binding protein 0.0076 0.251 0.251
Schistosoma mansoni hypothetical protein 0.0205 0.71 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0206 0.029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4934 0.4934
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0206 0.0206
Brugia malayi MH2 domain containing protein 0.0144 0.4934 0.4934
Loa Loa (eye worm) RNA binding protein 0.0076 0.251 0.251
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0206 0.0206
Schistosoma mansoni tar DNA-binding protein 0.0076 0.251 0.3535
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0206 0.0206
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0121 0.0121
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1748 0.1748
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0206 0.029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1748 0.1748
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0206 0.029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0206 0.0206
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Brugia malayi ecdysteroid receptor 0.0012 0.0206 0.0206
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0206 0.0206
Schistosoma mansoni smad1 5 8 and 0.001 0.0121 0.017
Schistosoma mansoni tar DNA-binding protein 0.0076 0.251 0.3535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1748 0.1748
Schistosoma mansoni hypothetical protein 0.0058 0.1856 0.2614
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1748 0.1748
Schistosoma mansoni tar DNA-binding protein 0.0076 0.251 0.3535
Brugia malayi MH1 domain containing protein 0.001 0.0121 0.0121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0206 0.0206
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0206 0.029
Schistosoma mansoni tar DNA-binding protein 0.0076 0.251 0.3535
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0206 0.0206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0206 0.0206
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0206 0.0206
Echinococcus multilocularis tar DNA binding protein 0.0076 0.251 0.251
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0206 0.029
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1856 0.1856
Brugia malayi MH1 domain containing protein 0.001 0.0121 0.0121
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0206 0.0206
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0206 0.0206
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0206 0.029
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0121 0.0121
Schistosoma mansoni survival motor neuron protein 0.0058 0.1856 0.2614
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0121 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1748 0.2462
Brugia malayi nuclear hormone receptor 0.0012 0.0206 0.0206
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0206 0.0206
Echinococcus granulosus geminin 0.0205 0.71 0.71
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0206 0.029
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.251 0.251
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0206 0.0206
Schistosoma mansoni smad1 5 8 and 0.001 0.0121 0.017
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0206 0.029
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0206 0.0206
Echinococcus multilocularis geminin 0.0205 0.71 0.71
Brugia malayi MH2 domain containing protein 0.001 0.0121 0.0121
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0206 0.0206
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Echinococcus multilocularis Smad4 0.001 0.0121 0.0121
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0206 0.0206
Schistosoma mansoni Smad4 0.001 0.0121 0.017
Echinococcus granulosus tar DNA binding protein 0.0076 0.251 0.251
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0206 0.029
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0206 0.0206
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0206 0.0206
Brugia malayi Smad1 0.001 0.0121 0.0121
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0206 0.0206
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4934 0.4934
Schistosoma mansoni tar DNA-binding protein 0.0076 0.251 0.3535
Schistosoma mansoni smad1 5 8 and 0.001 0.0121 0.017
Brugia malayi nuclear receptor NHR-88 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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 (binding) = 35.4813 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) = 44.6684 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.