Detailed information for compound 1454689

Basic information

Technical information
  • TDR Targets ID: 1454689
  • Name: 1-(1,3-dihydrobenzo[e][2]benzoxol-4-yl)-N,N-d imethylmethanamine
  • MW: 227.302 | Formula: C15H17NO
  • H donors: 0 H acceptors: 0 LogP: 2.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cc2ccccc2c2c1COC2)C
  • InChi: 1S/C15H17NO/c1-16(2)8-12-7-11-5-3-4-6-13(11)15-10-17-9-14(12)15/h3-7H,8-10H2,1-2H3
  • InChiKey: FPGZPZNOGPTPIN-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(1,3-dihydrobenzo[g]isobenzofuran-4-yl)-N,N-dimethyl-methanamine
  • 1-(1,3-dihydrobenzo[g]isobenzofuran-4-yl)-N,N-dimethylmethanamine
  • 1,3-dihydrobenzo[g]isobenzofuran-4-ylmethyl-dimethyl-amine
  • 1-(1,3-dihydrobenzo[e][2]benzoxol-4-yl)-N,N-dimethyl-methanamine
  • (1,3-Dihydro-naphtho[1,2-c]furan-4-ylmethyl)-dimethyl-amine
  • Oprea1_334962
  • SMR000419913
  • MLS000779730
  • STOCK2S-10502

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947

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) hexokinase 0.1032 1 1
Plasmodium falciparum hexokinase 0.1032 1 0.5
Trypanosoma cruzi hexokinase, putative 0.1032 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0704 0.5396 0.5396
Trypanosoma brucei hexokinase 0.1032 1 0.5
Onchocerca volvulus 0.1032 1 1
Echinococcus multilocularis hexokinase 0.1032 1 0.5
Loa Loa (eye worm) hexokinase 0.0647 0.4604 0.4604
Onchocerca volvulus 0.1032 1 1
Toxoplasma gondii hexokinase 0.1032 1 0.5
Schistosoma mansoni hexokinase 0.1032 1 0.5
Loa Loa (eye worm) hexokinase type II 0.1032 1 1
Brugia malayi hexokinase type II 0.0328 0.0123 0.0123
Echinococcus multilocularis hexokinase 0.1032 1 0.5
Treponema pallidum hexokinase (hxk) 0.1032 1 0.5
Trypanosoma brucei hexokinase 0.1032 1 0.5
Echinococcus multilocularis hexokinase 0.1032 1 0.5
Plasmodium vivax hexokinase, putative 0.1032 1 0.5
Onchocerca volvulus 0.1032 1 1
Trypanosoma cruzi hexokinase, putative 0.1032 1 0.5
Entamoeba histolytica hexokinase 2 0.1032 1 0.5
Brugia malayi Hexokinase family protein 0.0647 0.4604 0.4604
Trypanosoma brucei hexokinase, putative 0.1032 1 0.5
Echinococcus multilocularis hexokinase type 2 0.1032 1 0.5
Echinococcus granulosus hexokinase 0.1032 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0328 0.0123 0.0123
Leishmania major hexokinase, putative 0.1032 1 0.5
Echinococcus granulosus hexokinase type 2 0.1032 1 0.5
Brugia malayi Hexokinase family protein 0.1032 1 1
Loa Loa (eye worm) hypothetical protein 0.0328 0.0123 0.0123
Leishmania major hexokinase, putative 0.1032 1 0.5
Echinococcus granulosus hexokinase 0.1032 1 0.5
Loa Loa (eye worm) hexokinase 0.1032 1 1
Echinococcus granulosus hexokinase 0.1032 1 0.5
Entamoeba histolytica hexokinase 1 0.1032 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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