Detailed information for compound 1234127

Basic information

Technical information
  • TDR Targets ID: 1234127
  • Name: N-(4-acetamidophenyl)-1-[(2-oxo-1,3,4,5-tetra hydro-1-benzazepin-7-yl)sulfonyl]piperidine-4 -carboxamide
  • MW: 484.568 | Formula: C24H28N4O5S
  • H donors: 3 H acceptors: 5 LogP: 1.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
  • InChi: 1S/C24H28N4O5S/c1-16(29)25-19-5-7-20(8-6-19)26-24(31)17-11-13-28(14-12-17)34(32,33)21-9-10-22-18(15-21)3-2-4-23(30)27-22/h5-10,15,17H,2-4,11-14H2,1H3,(H,25,29)(H,26,31)(H,27,30)
  • InChiKey: JZYURMMKDDOOLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetamidophenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-4-piperidinecarboxamide
  • N-(4-acetamidophenyl)-1-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]isonipecotamide
  • E977-0578
  • NCGC00127480-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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 cell polarity protein 0.0069 0.0985 0.2013
Echinococcus granulosus notch 0.0069 0.0985 0.097
Schistosoma mansoni septate junction protein 0.0069 0.0985 0.2013
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Echinococcus multilocularis protein jagged 2 0.0069 0.0985 0.097
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Schistosoma mansoni slit 0.0069 0.0985 0.2013
Schistosoma mansoni hypothetical protein 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Brugia malayi Peroxidasin 0.0214 0.4829 1
Echinococcus multilocularis notch 0.0069 0.0985 0.097
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Brugia malayi Animal haem peroxidase family protein 0.0214 0.4829 1
Schistosoma mansoni hypothetical protein 0.0069 0.0985 0.2013
Echinococcus granulosus protein jagged 1 0.0069 0.0985 0.097
Schistosoma mansoni notch 0.0069 0.0985 0.2013
Schistosoma mansoni hypothetical protein 0.0069 0.0985 0.2013
Giardia lamblia NADPH oxidoreductase, putative 0.0081 0.1307 1
Brugia malayi EGF-like domain containing protein 0.0069 0.0985 0.2013
Brugia malayi Calcium binding EGF domain containing protein 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Brugia malayi Blistered cuticle protein 3 0.0214 0.4829 1
Schistosoma mansoni laminin gamma-3 chain 0.0069 0.0985 0.2013
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Brugia malayi Delta serrate ligand family protein 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Brugia malayi EGF-like domain containing protein 0.0069 0.0985 0.2013
Schistosoma mansoni notch 0.0069 0.0985 0.2013
Echinococcus granulosus slit 2 protein 0.0069 0.0985 0.097
Brugia malayi Cadherin domain containing protein 0.0069 0.0985 0.2013
Onchocerca volvulus 0.0214 0.4829 1
Onchocerca volvulus Peroxidasin homolog 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0069 0.0985 0.2013
Onchocerca volvulus Peroxidasin homolog 0.0214 0.4829 1
Schistosoma mansoni notch 0.0069 0.0985 0.2013
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0738 0.15
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0069 0.0985 0.2013
Onchocerca volvulus 0.006 0.0738 0.15
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0069 0.0985 0.2013
Onchocerca volvulus Peroxidase homolog 0.0214 0.4829 1
Schistosoma mansoni peroxidasin 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Echinococcus granulosus protein jagged 1 0.0069 0.0985 0.097
Onchocerca volvulus Chorion peroxidase homolog 0.0214 0.4829 1
Onchocerca volvulus 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Echinococcus granulosus neurogenic locus notch protein 4 0.0069 0.0985 0.097
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Schistosoma mansoni hypothetical protein 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0016 0.0033
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Brugia malayi hypothetical protein 0.0214 0.4829 1
Echinococcus multilocularis fibropellin Ia 0.0069 0.0985 0.097
Echinococcus granulosus protein jagged 2 0.0069 0.0985 0.097
Echinococcus multilocularis neural cadherin 0.0069 0.0985 0.097
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Brugia malayi EGF-like domain containing protein 0.0069 0.0985 0.2013
Onchocerca volvulus 0.0069 0.0985 0.2013
Brugia malayi Muscle positioning protein 4 0.0069 0.0985 0.2013
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Loa Loa (eye worm) Notch2 0.0069 0.0985 0.2039
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Onchocerca volvulus Dual oxidase homolog 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Loa Loa (eye worm) animal heme peroxidase 0.0214 0.4829 1
Onchocerca volvulus 0.0214 0.4829 1
Brugia malayi notch-like transmembrane receptor 0.0069 0.0985 0.2013
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.2294 0.2282
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Schistosoma mansoni notch 0.0069 0.0985 0.2013
Onchocerca volvulus Peroxidase homolog 0.0214 0.4829 1
Brugia malayi EGF-like domain containing protein 0.0069 0.0985 0.2013
Brugia malayi Calcium binding EGF domain containing protein 0.0069 0.0985 0.2013
Brugia malayi GCC2 and GCC3 family protein 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0081 0.1307 1
Brugia malayi EGF-like domain containing protein 0.0069 0.0985 0.2013
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0069 0.0985 0.097
Echinococcus multilocularis neurogenic locus protein delta 0.0069 0.0985 0.097
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0081 0.1307 1
Echinococcus multilocularis neurogenic locus protein delta 0.0069 0.0985 0.097
Schistosoma mansoni peroxidasin 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Schistosoma mansoni hypothetical protein 0.0069 0.0985 0.2013
Brugia malayi EGF-like domain containing protein 0.0069 0.0985 0.2013
Brugia malayi Animal haem peroxidase family protein 0.0214 0.4829 1
Echinococcus granulosus neural cadherin 0.0069 0.0985 0.097
Echinococcus multilocularis slit 2 protein 0.0069 0.0985 0.097
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.2294 0.2282
Onchocerca volvulus 0.0069 0.0985 0.2013
Onchocerca volvulus Slit protein homolog 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Loa Loa (eye worm) notch protein 0.0069 0.0985 0.2039
Echinococcus multilocularis fat cadherin tumor suppressor 0.0069 0.0985 0.097
Schistosoma mansoni lipoxygenase 0.0118 0.2294 0.4733
Echinococcus granulosus peroxidasin 0.0214 0.4829 0.4821
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Schistosoma mansoni lipoxygenase 0.0083 0.1348 0.2767
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Onchocerca volvulus Putative cubilin 0.0069 0.0985 0.2013
Brugia malayi Animal haem peroxidase family protein 0.0214 0.4829 1
Brugia malayi Cadherin domain containing protein 0.0069 0.0985 0.2013
Echinococcus granulosus fibropellin Ia 0.0069 0.0985 0.097
Brugia malayi Animal haem peroxidase family protein 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Onchocerca volvulus 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Echinococcus granulosus neurogenic locus protein delta 0.0069 0.0985 0.097
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Onchocerca volvulus 0.0069 0.0985 0.2013
Brugia malayi Calcium binding EGF domain containing protein 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0016 0.0033
Schistosoma mansoni notch 0.0069 0.0985 0.2013
Onchocerca volvulus Neurogenic locus notch homolog 0.0069 0.0985 0.2013
Loa Loa (eye worm) animal heme peroxidase 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Echinococcus multilocularis neurogenic locus notch protein 0.0069 0.0985 0.097
Echinococcus granulosus neurogenic locus notch protein 0.0069 0.0985 0.097
Echinococcus granulosus protein jagged 2 0.0069 0.0985 0.097
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Echinococcus multilocularis neurogenic locus notch protein 0.0069 0.0985 0.097
Loa Loa (eye worm) blistered cuticle protein 3 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0081 0.1307 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Echinococcus granulosus neurogenic locus notch protein 0.0069 0.0985 0.097
Loa Loa (eye worm) hypothetical protein 0.006 0.0738 0.1528
Loa Loa (eye worm) animal heme peroxidase 0.0214 0.4829 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Loa Loa (eye worm) animal heme peroxidase 0.0214 0.4829 1
Echinococcus granulosus delta-like protein 1 0.0069 0.0985 0.097
Schistosoma mansoni hypothetical protein 0.0069 0.0985 0.2013
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Brugia malayi EGF-like domain containing protein 0.0069 0.0985 0.2013
Echinococcus multilocularis protein jagged 1 0.0069 0.0985 0.097
Toxoplasma gondii EGF family domain-containing protein 0.0069 0.0985 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0985 0.2039
Loa Loa (eye worm) hypothetical protein 0.0214 0.4829 1
Onchocerca volvulus 0.0214 0.4829 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1307 1
Echinococcus multilocularis protein jagged 1 0.0069 0.0985 0.097
Brugia malayi Animal haem peroxidase family protein 0.0214 0.4829 1
Echinococcus multilocularis peroxidasin 0.0214 0.4829 0.4821
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0016 0.0033
Giardia lamblia NADPH oxidoreductase, putative 0.0081 0.1307 1
Schistosoma mansoni notch 0.0069 0.0985 0.2013
Schistosoma mansoni hypothetical protein 0.0069 0.0985 0.2013
Giardia lamblia NADPH oxidoreductase, putative 0.0081 0.1307 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.02 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0447 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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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