Detailed information for compound 1448004

Basic information

Technical information
  • TDR Targets ID: 1448004
  • Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-4,5-dih ydrobenzo[g][1,2]benzoxazole-3-carboxamide
  • MW: 372.777 | Formula: C19H14ClFN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)CCc1c2onc1C(=O)Nc1ccc(c(c1)Cl)F
  • InChi: 1S/C19H14ClFN2O3/c1-25-12-4-6-13-10(8-12)2-5-14-17(23-26-18(13)14)19(24)22-11-3-7-16(21)15(20)9-11/h3-4,6-9H,2,5H2,1H3,(H,22,24)
  • InChiKey: VSMOTYFVBMBWBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-fluoro-phenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
  • N-(3-chloro-4-fluoro-phenyl)-7-methoxy-4,5-dihydrobenzo[g]indoxazene-3-carboxamide
  • C226-4052
  • NCGC00105804-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
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) hypothetical protein 0.0792 0.4584 1
Giardia lamblia AAA family ATPase 0.0808 0.4742 0.5
Mycobacterium ulcerans ATPase 0.0808 0.4742 0.5
Trypanosoma cruzi Valosin-containing protein, putative 0.1281 0.9326 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1281 0.9326 0.9122
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.1281 0.9326 0.5
Brugia malayi vesicle-fusing ATPase 0.0792 0.4584 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.135 1 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.1281 0.9326 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.135 1 1
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.1281 0.9326 0.5
Trichomonas vaginalis spermatogenesis associated factor, putative 0.135 1 1
Brugia malayi valosin containing protein 0.0792 0.4584 1
Trypanosoma brucei Valosin-containing protein 0.1281 0.9326 0.5
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.135 1 0.5
Mycobacterium tuberculosis Putative conserved ATPase 0.0808 0.4742 0.5
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.1281 0.9326 1
Loa Loa (eye worm) vesicle-fusing ATPase 0.0792 0.4584 1
Toxoplasma gondii cell division protein CDC48CY 0.135 1 1
Toxoplasma gondii cell division protein CDC48AP 0.0808 0.4742 0.0000097958
Entamoeba histolytica cdc48-like protein, putative 0.1281 0.9326 0.5

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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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