Detailed information for compound 1392993

Basic information

Technical information
  • TDR Targets ID: 1392993
  • Name: N-[4-[[2-(5-nitropyridin-2-yl)sulfanylacetyl] amino]phenyl]acetamide
  • MW: 346.361 | Formula: C15H14N4O4S
  • H donors: 2 H acceptors: 5 LogP: 1.61 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)NC(=O)C)CSc1ccc(cn1)[N+](=O)[O-]
  • InChi: 1S/C15H14N4O4S/c1-10(20)17-11-2-4-12(5-3-11)18-14(21)9-24-15-7-6-13(8-16-15)19(22)23/h2-8H,9H2,1H3,(H,17,20)(H,18,21)
  • InChiKey: XZQFQZCEYACDAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]phenyl]acetamide
  • N-[4-[[2-[(5-nitro-2-pyridyl)thio]-1-oxoethyl]amino]phenyl]acetamide
  • N-[4-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]phenyl]acetamide
  • N-[4-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]phenyl]ethanamide
  • MLS000719347
  • SMR000286972
  • ZINC04997953
  • ASN 10769988
  • N-(4-Acetylamino-phenyl)-2-(5-nitro-pyridin-2-ylsulfanyl)-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0158 0.0343 0.0378
Plasmodium vivax protein kinase Crk2 0.0099 0 0.5
Brugia malayi P21-Rho-binding domain containing protein 0.0153 0.032 0.032
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.0153 0.032 0.0351
Brugia malayi P21-Rho-binding domain containing protein 0.0153 0.032 0.032
Trypanosoma brucei cdc2-related kinase 3 0.0099 0 0.5
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0158 0.0343 0.0378
Echinococcus granulosus muscleblind protein 0.018 0.0478 0.0525
Brugia malayi Protein kinase domain 0.0158 0.0343 0.0343
Schistosoma mansoni protein kinase 0.0153 0.032 0.9306
Trypanosoma cruzi cdc2-related kinase 3 0.0099 0 0.5
Entamoeba histolytica hypothetical protein 0.0153 0.032 0.9306
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0099 0 0.5
Schistosoma mansoni protein kinase 0.0158 0.0343 1
Plasmodium falciparum protein kinase 5 0.0099 0 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0478 0.0478
Loa Loa (eye worm) hypothetical protein 0.0153 0.032 0.032
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0158 0.0343 0.0378
Entamoeba histolytica hypothetical protein 0.0153 0.032 0.9306
Entamoeba histolytica p21-activated kinase 0.0158 0.0343 1
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.0153 0.032 0.0351
Trichomonas vaginalis STE family protein kinase 0.0158 0.0343 1
Schistosoma mansoni hypothetical protein 0.0153 0.032 0.9306
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0099 0 0.5
Echinococcus granulosus PAK box P21 Rho binding 0.0153 0.032 0.0351
Giardia lamblia Kinase, STE STE20 0.0158 0.0343 1
Trypanosoma cruzi cdc2-related kinase 1 0.0099 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0153 0.032 0.9306
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0099 0 0.5
Entamoeba histolytica protein kinase, putative 0.0158 0.0343 1
Echinococcus multilocularis PAK box P21 Rho binding 0.0158 0.0343 0.0378
Schistosoma mansoni hypothetical protein 0.0153 0.032 0.9306
Trichomonas vaginalis STE family protein kinase 0.0158 0.0343 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0478 0.0525
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.1646 0.9097 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0478 0.0478
Brugia malayi Muscleblind-like protein 0.018 0.0478 0.0478
Schistosoma mansoni hypothetical protein 0.0153 0.032 0.9306
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0158 0.0343 0.0378
Echinococcus multilocularis PAK box P21 Rho binding 0.0153 0.032 0.0351
Trypanosoma brucei cdc2-related kinase 1 0.0099 0 0.5
Trypanosoma cruzi cdc2-related kinase 3 0.0099 0 0.5
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0153 0.032 0.032
Entamoeba histolytica protein kinase, putative 0.0158 0.0343 1
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.0153 0.032 0.0351
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.032 0.9306
Entamoeba histolytica protein kinase, putative 0.0158 0.0343 1
Trichomonas vaginalis STE family protein kinase 0.0158 0.0343 1
Schistosoma mansoni wiskott-aldrich syndrome protein 0.0153 0.032 0.9306
Schistosoma mansoni protein kinase 0.0158 0.0343 1
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0158 0.0343 0.0378
Brugia malayi WH1 domain containing protein 0.0153 0.032 0.032
Schistosoma mansoni protein kinase 0.0158 0.0343 1
Trichomonas vaginalis STE family protein kinase 0.0158 0.0343 1
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.1799 1 1
Entamoeba histolytica protein kinase, putative 0.0158 0.0343 1
Trypanosoma cruzi cdc2-related kinase 1 0.0099 0 0.5
Schistosoma mansoni tyrosine kinase 0.0153 0.032 0.9306
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.1646 0.9097 1
Trichomonas vaginalis STE family protein kinase 0.0158 0.0343 1
Echinococcus multilocularis muscleblind protein 0.018 0.0478 0.0525
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0158 0.0343 0.0378

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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