Detailed information for compound 1555750

Basic information

Technical information
  • TDR Targets ID: 1555750
  • Name: N'-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl )thiophene-2-carbohydrazide
  • MW: 413.899 | Formula: C16H16ClN3O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)S(=O)(=O)N1CCCC1)Cl)NNC(=O)c1cccs1
  • InChi: 1S/C16H16ClN3O4S2/c17-12-6-5-11(10-14(12)26(23,24)20-7-1-2-8-20)15(21)18-19-16(22)13-4-3-9-25-13/h3-6,9-10H,1-2,7-8H2,(H,18,21)(H,19,22)
  • InChiKey: YMRDVYRPDTTYGW-UHFFFAOYSA-N  

Network

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Synonyms

  • N'-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)thiophene-2-carbohydrazide
  • N'-[(4-chloro-3-1-pyrrolidinylsulfonylphenyl)-oxomethyl]-2-thiophenecarbohydrazide
  • N'-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylthiophene-2-carbohydrazide
  • ZINC06558469
  • T5361285

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.126 0.126
Entamoeba histolytica hypothetical protein 0.0043 0.1405 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1746 0.1678
Loa Loa (eye worm) hypothetical protein 0.0172 1 1
Echinococcus multilocularis muscleblind protein 1 0.0172 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.3091 0.3091
Schistosoma mansoni hypothetical protein 0.0165 0.9552 1
Schistosoma mansoni hypothetical protein 0.0165 0.9552 1
Loa Loa (eye worm) hypothetical protein 0.0172 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.793 0.7913
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0033 0.0716 0.064
Loa Loa (eye worm) hypothetical protein 0.0049 0.1777 0.171
Schistosoma mansoni bromodomain containing protein 0.0073 0.3367 0.3525
Schistosoma mansoni hypothetical protein 0.0024 0.0081 0.0085
Echinococcus multilocularis geminin 0.0165 0.9552 0.9552
Entamoeba histolytica hypothetical protein 0.0043 0.1405 0.5
Brugia malayi Bromodomain containing protein 0.0086 0.427 0.4024
Brugia malayi hypothetical protein 0.0141 0.793 0.7841
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0229 0.0229
Entamoeba histolytica hypothetical protein 0.0043 0.1405 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.126 0.126
Loa Loa (eye worm) hypothetical protein 0.0141 0.793 0.7913
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1746 0.1392
Onchocerca volvulus Huntingtin homolog 0.0141 0.793 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0229 0.0239
Loa Loa (eye worm) hypothetical protein 0.0081 0.394 0.389
Loa Loa (eye worm) hypothetical protein 0.0047 0.163 0.1562
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1405 0.1405
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1405 0.1405
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.3091 0.3091
Schistosoma mansoni hypothetical protein 0.0033 0.0716 0.075
Echinococcus multilocularis muscleblind protein 0.0172 1 1
Brugia malayi hypothetical protein 0.0043 0.1405 0.1037
Brugia malayi Bromodomain containing protein 0.0044 0.1442 0.1076
Onchocerca volvulus Huntingtin homolog 0.0141 0.793 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.1405 0.1471
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1746 0.1678
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1405 0.1471
Loa Loa (eye worm) hypothetical protein 0.0044 0.1448 0.1378
Echinococcus granulosus muscleblind protein 0.0172 1 1
Echinococcus granulosus geminin 0.0165 0.9552 0.9552
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0716 0.0318
Entamoeba histolytica hypothetical protein 0.0043 0.1405 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1746 0.1392

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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