Detailed information for compound 831591

Basic information

Technical information
  • TDR Targets ID: 831591
  • Name: N-(3-methoxyphenyl)-4-methyl-2-[(3-methyl-2-o xo-1,3-benzoxazol-6-yl)sulfonylamino]pentanam ide
  • MW: 447.505 | Formula: C21H25N3O6S
  • H donors: 2 H acceptors: 4 LogP: 2.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)CC(C)C
  • InChi: 1S/C21H25N3O6S/c1-13(2)10-17(20(25)22-14-6-5-7-15(11-14)29-4)23-31(27,28)16-8-9-18-19(12-16)30-21(26)24(18)3/h5-9,11-13,17,23H,10H2,1-4H3,(H,22,25)
  • InChiKey: DAVSOYDMKTZJPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-N-(3-methoxyphenyl)-4-methyl-valeramide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium ulcerans two component sensor kinase MprB 0.0141 0.1479 0.5
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0141 0.1479 0.5
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0141 0.1479 0.5
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0141 0.1479 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0064 0.0165 0.5
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0183 0.2183 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0643 1 1
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0643 1 1
Trichomonas vaginalis sensor histidine kinase, putative 0.0643 1 1
Brugia malayi jmjC domain containing protein 0.0064 0.0165 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0643 1 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0643 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0141 0.1479 1
Schistosoma mansoni jumonji domain containing protein 0.0064 0.0165 0.5
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0141 0.1479 0.5
Mycobacterium leprae Probable two component sensor kinase MprB 0.0141 0.1479 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0141 0.1479 1
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.0165 0.5
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0643 1 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0141 0.1479 0.5
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0141 0.1479 0.5
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0141 0.1479 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.0165 0.5
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0141 0.1479 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.0165 0.5
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0141 0.1479 0.5
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0141 0.1479 1
Brugia malayi jmjC domain containing protein 0.0064 0.0165 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0165 0.5
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0141 0.1479 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0165 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0165 1
Mycobacterium ulcerans two component regulator - sensor kinase 0.0141 0.1479 0.5
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0141 0.1479 1
Trichomonas vaginalis sensor histidine kinase, putative 0.0502 0.7603 0.2272
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0141 0.1479 0.5
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0141 0.1479 1

Activities

No activities found for this compound.

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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