Detailed information for compound 1311900

Basic information

Technical information
  • TDR Targets ID: 1311900
  • Name: 4-[2-(2,6-dioxocyclohexylidene)hydrazinyl]-N, N-diethylbenzenesulfonamide
  • MW: 351.421 | Formula: C16H21N3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)NN=C1C(=O)CCCC1=O)CC
  • InChi: 1S/C16H21N3O4S/c1-3-19(4-2)24(22,23)13-10-8-12(9-11-13)17-18-16-14(20)6-5-7-15(16)21/h8-11,17H,3-7H2,1-2H3
  • InChiKey: GCOCVSBSDZRDDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[N'-(2,6-dioxocyclohexylidene)hydrazino]-N,N-diethyl-benzenesulfonamide
  • 4-[N'-(2,6-dioxocyclohexylidene)hydrazino]-N,N-diethylbenzenesulfonamide
  • 4-[N'-(2,6-diketocyclohexylidene)hydrazino]-N,N-diethyl-benzenesulfonamide
  • 4-[2-(2,6-dioxocyclohexylidene)hydrazinyl]-N,N-diethyl-benzenesulfonamide
  • T0502-9316
  • MLS000374374
  • SMR000242290
  • ZINC03178416

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
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
Echinococcus multilocularis 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
Schistosoma mansoni hypothetical protein 0.036 1 1
Echinococcus granulosus thymidylate kinase 0.036 1 1
Trypanosoma brucei thymidylate kinase, putative 0.036 1 0.5
Onchocerca volvulus Putative thymidylate kinase 0.036 1 0.5
Entamoeba histolytica Thymidylate kinase, putative 0.036 1 0.5
Echinococcus granulosus thymidine kinase 0.0309 0.7649 0.7139
Echinococcus multilocularis thymidine kinase 0.0309 0.7649 0.7139
Giardia lamblia CDC8 0.036 1 0.5
Echinococcus granulosus thymidine kinase 0.0309 0.7649 0.7139
Loa Loa (eye worm) thymidylate kinase 0.036 1 1
Echinococcus multilocularis thymidylate kinase 0.036 1 1
Schistosoma mansoni thymidylate kinase 0.036 1 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.036 1 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.036 1 0.5
Trypanosoma cruzi thymidylate kinase, putative 0.036 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.036 1 1
Mycobacterium ulcerans thymidylate kinase 0.036 1 0.5
Echinococcus multilocularis thymidine kinase 0.0309 0.7649 0.7139
Trichomonas vaginalis thymidylate kinase, putative 0.036 1 0.5
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0309 0.7649 0.7139
Toxoplasma gondii thymidylate kinase 0.036 1 0.5
Leishmania major thymidylate kinase-like protein 0.036 1 1
Trypanosoma brucei thymidylate kinase, putative 0.036 1 0.5
Chlamydia trachomatis thymidylate kinase 0.036 1 0.5
Echinococcus multilocularis transfer RNA-Ile 0.0309 0.7649 0.7139
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.036 1 0.5
Plasmodium vivax thymidylate kinase, putative 0.036 1 0.5
Schistosoma mansoni thymidylate kinase 0.036 1 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.036 1 0.5
Plasmodium falciparum thymidylate kinase 0.036 1 0.5
Treponema pallidum thymidylate kinase (tmk) 0.036 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 1.7783 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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