Detailed information for compound 1599217

Basic information

Technical information
  • TDR Targets ID: 1599217
  • Name: N-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]phe nyl]acetamide
  • MW: 286.347 | Formula: C12H18N2O4S
  • H donors: 3 H acceptors: 4 LogP: 0.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@H](NS(=O)(=O)c1ccc(cc1)NC(=O)C)CO
  • InChi: 1S/C12H18N2O4S/c1-3-10(8-15)14-19(17,18)12-6-4-11(5-7-12)13-9(2)16/h4-7,10,14-15H,3,8H2,1-2H3,(H,13,16)/t10-/m1/s1
  • InChiKey: SFRGDEGBGQJQCB-SNVBAGLBSA-N  

Network

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Synonyms

  • N-[4-[[(1R)-1-(hydroxymethyl)propyl]sulfamoyl]phenyl]acetamide
  • N-[4-[[(1R)-1-methylolpropyl]sulfamoyl]phenyl]acetamide
  • N-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]phenyl]ethanamide
  • ZINC00029137

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
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0133 0.3036 0.276
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0279 0.9517 0.5
Echinococcus granulosus poly adp ribose polymerase 2 0.0154 0.3951 0.3783
Loa Loa (eye worm) hypothetical protein 0.0154 0.3951 0.5642
Brugia malayi WGR domain containing protein 0.0154 0.3951 0.3783
Echinococcus granulosus WGR domain containing protein 0.0087 0.1002 0.0489
Echinococcus multilocularis sodium and chloride dependent glycine 0.0077 0.0564 0.0593
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0154 0.3951 0.4152
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.011 0.2033 0.2447
Echinococcus granulosus poly (ADP ribose) polymerase 0.0087 0.1002 0.0489
Trypanosoma brucei poly(adp-ribose) polymerase 0.0154 0.3951 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0154 0.3951 0.3783
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0279 0.9517 1
Echinococcus granulosus poly ADP ribose polymerase 1 0.0279 0.9517 1
Brugia malayi WGR domain containing protein 0.0279 0.9517 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.6567 1
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0279 0.9517 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0154 0.3951 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0077 0.0564 0.0593
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0154 0.3951 0.5

Activities

Activity type Activity value Assay description Source Reference
DIZ (functional) Antifungal activity against Saccharomyces cerevisiae ATCC 9763 at 50 mg/ml after 72 hrs by agar diffusion test ChEMBL. 22154833
DIZ (functional) Antibacterial activity against Escherichia coli ATCC 8739 at 50 mg/ml after 24 hrs by agar diffusion test ChEMBL. 22154833
MIC (functional) > 17.46 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 45 days ChEMBL. 22154833

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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