Detailed information for compound 1428366

Basic information

Technical information
  • TDR Targets ID: 1428366
  • Name: 5-bromo-N-[[4-[3-methyl-4-(4-methylphenyl)pip erazine-1-carbonyl]cyclohexyl]methyl]thiophen e-2-sulfonamide
  • MW: 554.563 | Formula: C24H32BrN3O3S2
  • H donors: 1 H acceptors: 3 LogP: 5.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)N1CCN(CC1C)C(=O)C1CCC(CC1)CNS(=O)(=O)c1ccc(s1)Br
  • InChi: 1S/C24H32BrN3O3S2/c1-17-3-9-21(10-4-17)28-14-13-27(16-18(28)2)24(29)20-7-5-19(6-8-20)15-26-33(30,31)23-12-11-22(25)32-23/h3-4,9-12,18-20,26H,5-8,13-16H2,1-2H3
  • InChiKey: SFIMMOGFOCFEOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-bromo-N-[[4-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
  • 5-bromo-N-[[4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]thiophene-2-sulfonamide
  • C274-3683
  • NCGC00106852-01
  • EU-0091457

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens galactosylceramidase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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 putative transglutaminase-like protein 0.0625 0.619 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0625 0.619 0.5
Echinococcus multilocularis Transglutaminase 0.0625 0.619 0.619
Mycobacterium tuberculosis Conserved protein 0.0625 0.619 0.5
Trichomonas vaginalis peptide N-glycanase, putative 0.0625 0.619 0.5
Giardia lamblia Transglutaminase/protease, putative 0.0625 0.619 0.5
Mycobacterium tuberculosis Hypothetical protein 0.0625 0.619 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Onchocerca volvulus 0.0801 0.9413 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0 0.5
Giardia lamblia Hypothetical protein 0.0625 0.619 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Mycobacterium tuberculosis Long conserved protein 0.0625 0.619 0.5
Mycobacterium ulcerans hypothetical protein 0.0625 0.619 0.5
Mycobacterium ulcerans hypothetical protein 0.0625 0.619 0.5
Brugia malayi Thioredoxin family protein 0.0625 0.619 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0625 0.619 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0625 0.619 0.5
Mycobacterium ulcerans transglutaminase family protein 0.0625 0.619 0.5
Echinococcus granulosus Transglutaminase 0.0625 0.619 0.619
Mycobacterium leprae Conserved hypothetical protein 0.0625 0.619 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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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