Detailed information for compound 1496558

Basic information

Technical information
  • TDR Targets ID: 1496558
  • Name: 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ace tohydrazide
  • MW: 260.288 | Formula: C14H16N2O3
  • H donors: 2 H acceptors: 1 LogP: 2.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)COc1ccc2c(c1)c1CCCCc1o2
  • InChi: 1S/C14H16N2O3/c15-16-14(17)8-18-9-5-6-13-11(7-9)10-3-1-2-4-12(10)19-13/h5-7H,1-4,8,15H2,(H,16,17)
  • InChiKey: KGTMVXXAGLOGSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanehydrazide
  • ZINC03887802

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii apocytochrome b, putative 0.0462 1 0.5
Toxoplasma gondii cytochrome b 0.0462 1 0.5
Plasmodium falciparum cytochrome b 0.0462 1 0.5
Trichomonas vaginalis glutaminase, putative 0.033 0 0.5
Schistosoma mansoni cytochrome b 0.0462 1 1
Echinococcus granulosus cytochrome B 0.0462 1 0.5
Mycobacterium ulcerans glutaminase 0.033 0 0.5
Schistosoma mansoni cytochrome b 0.0462 1 1
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0462 1 0.5
Loa Loa (eye worm) cytochrome b 0.0462 1 1
Plasmodium vivax cytochrome b 0.0462 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 26.8545 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

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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