Detailed information for compound 1451471

Basic information

Technical information
  • TDR Targets ID: 1451471
  • Name: 4-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylme thyl)benzamide
  • MW: 341.401 | Formula: C20H23NO4
  • H donors: 1 H acceptors: 1 LogP: 3.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)OCc1ccc(cc1)C(=O)NCC1CCCO1
  • InChi: 1S/C20H23NO4/c1-23-17-4-2-5-18(12-17)25-14-15-7-9-16(10-8-15)20(22)21-13-19-6-3-11-24-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,21,22)
  • InChiKey: CBYGJGQQTPFOET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(3-methoxyphenoxy)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
  • 4-[(3-methoxyphenoxy)methyl]-N-(2-tetrahydrofuranylmethyl)benzamide
  • 4-[(3-methoxyphenoxy)methyl]-N-(tetrahydrofurfuryl)benzamide
  • 4-[(3-methoxyphenoxy)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide
  • MLS000698341
  • SMR000227338
  • Oprea1_700055

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Echinococcus multilocularis 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 granulosus lamin dm0 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 granulosus 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
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
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
Schistosoma mansoni lamin 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) 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
Loa Loa (eye worm) hypothetical 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus choline O acetyltransferase 0.0046 0.0724 0.1288
Brugia malayi Choline O-acetyltransferase 0.0046 0.0724 0.0673
Echinococcus multilocularis lamin 0.0033 0.0409 0.0717
Schistosoma mansoni choline o-acyltransferase 0.0046 0.0724 1
Schistosoma mansoni choline o-acyltransferase 0.0046 0.0724 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0046 0.0724 0.0724
Echinococcus multilocularis choline O acetyltransferase 0.0046 0.0724 0.1288
Echinococcus multilocularis musashi 0.0033 0.0409 0.0717
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0409 0.0409
Brugia malayi intermediate filament protein 0.0033 0.0409 0.0357
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0046 0.0724 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0409 0.0409
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0014
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0046 0.0724 0.0724
Onchocerca volvulus 0.0046 0.0724 1
Trypanosoma brucei hypothetical protein, conserved 0.0046 0.0724 0.5
Echinococcus granulosus lamin 0.0033 0.0409 0.0717
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0251 0.5525 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0046 0.0724 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0409 0.0717
Loa Loa (eye worm) hypothetical protein 0.0046 0.0724 0.0724
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0046 0.0724 0.0673
Echinococcus granulosus intermediate filament protein 0.0033 0.0409 0.0717
Loa Loa (eye worm) hypothetical protein 0.0442 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.0409 0.0717
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0046 0.0724 0.0673
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0046 0.0724 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0046 0.0724 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0055 0.0055
Onchocerca volvulus 0.0046 0.0724 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0409 0.0357
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0251 0.5525 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0409 0.0409
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0251 0.5525 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0251 0.5525 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0251 0.5525 1
Onchocerca volvulus 0.0046 0.0724 1
Onchocerca volvulus 0.0046 0.0724 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0046 0.0724 0.1288
Loa Loa (eye worm) choline O-acetyltransferase 0.0046 0.0724 0.0724
Loa Loa (eye worm) hypothetical protein 0.0032 0.0395 0.0395
Brugia malayi Choline O-acetyltransferase 0.0046 0.0724 0.0673
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0046 0.0724 0.1288

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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