Detailed information for compound 1445119

Basic information

Technical information
  • TDR Targets ID: 1445119
  • Name: N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]be nzenesulfonamide
  • MW: 421.512 | Formula: C23H23N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)NS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C23H23N3O3S/c27-23(26-16-14-25(15-17-26)21-10-3-1-4-11-21)19-8-7-9-20(18-19)24-30(28,29)22-12-5-2-6-13-22/h1-13,18,24H,14-17H2
  • InChiKey: PIQQHOLQPVWVNN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]benzenesulfonamide
  • N-[3-(4-phenylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide
  • ZINC05184656

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1027 1
Entamoeba histolytica hypothetical protein 0.0075 0.222 0.5
Brugia malayi MH2 domain containing protein 0.0122 0.4046 0.4353
Mycobacterium ulcerans beta-lactamase 0.0043 0.1027 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1027 0.5
Schistosoma mansoni hypothetical protein 0.0174 0.6011 0.8062
Echinococcus granulosus jun protein 0.0259 0.9295 1
Schistosoma mansoni hypothetical protein 0.0041 0.0938 0.1153
Entamoeba histolytica hypothetical protein 0.0075 0.222 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0091 0.0098
Loa Loa (eye worm) hypothetical protein 0.0043 0.1027 0.1048
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1667 0.1794
Schistosoma mansoni hypothetical protein 0.0075 0.222 0.29
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1027 0.1274
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.4046 0.4429
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0259 0.9295 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1667 0.1765
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1027 0.1017
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1027 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1027 0.1048
Mycobacterium leprae Probable lipase LipE 0.0043 0.1027 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0351 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1027 0.1048
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1027 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.222 0.2313
Schistosoma mansoni hypothetical protein 0.0174 0.6011 0.8062
Loa Loa (eye worm) beta-lactamase 0.0043 0.1027 0.1048
Brugia malayi hypothetical protein 0.0026 0.0351 0.0377
Brugia malayi beta-lactamase family protein 0.0043 0.1027 0.1104
Loa Loa (eye worm) hypothetical protein 0.006 0.1667 0.1765
Loa Loa (eye worm) hypothetical protein 0.0043 0.1027 0.1048
Loa Loa (eye worm) hypothetical protein 0.0043 0.1027 0.1048
Loa Loa (eye worm) hypothetical protein 0.0041 0.0938 0.0948
Loa Loa (eye worm) hypothetical protein 0.0043 0.1027 0.1048
Brugia malayi hypothetical protein 0.0075 0.222 0.2389
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1027 1
Brugia malayi hypothetical protein 0.0204 0.7162 0.7705
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1027 0.5
Entamoeba histolytica hypothetical protein 0.0075 0.222 0.5
Mycobacterium ulcerans lipase LipD 0.0043 0.1027 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1027 0.1274
Mycobacterium ulcerans hypothetical protein 0.0043 0.1027 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1027 0.1104
Echinococcus multilocularis jun protein 0.0259 0.9295 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1027 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1027 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0351 0.5
Schistosoma mansoni jun-related protein 0.0211 0.7434 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1027 0.1048
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.4046 0.4429
Brugia malayi Pax transcription factor protein 2 0.0247 0.8806 0.9474
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0259 0.9295 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.222 0.2313
Brugia malayi beta-lactamase family protein 0.0043 0.1027 0.1104
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1027 0.5
Loa Loa (eye worm) hypothetical protein 0.0252 0.9022 1
Echinococcus multilocularis geminin 0.0174 0.6011 0.6432
Onchocerca volvulus 0.0247 0.8806 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1027 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0938 0.1009
Leishmania major hypothetical protein, conserved 0.0043 0.1027 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1027 0.5
Entamoeba histolytica hypothetical protein 0.0075 0.222 0.5
Schistosoma mansoni hypothetical protein 0.0211 0.7434 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1667 0.1794
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0091 0.0098
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.222 0.29
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1027 0.1017
Onchocerca volvulus 0.0204 0.7162 0.7886
Brugia malayi bZIP transcription factor family protein 0.0259 0.9295 1
Echinococcus granulosus geminin 0.0174 0.6011 0.6432
Loa Loa (eye worm) hypothetical protein 0.0026 0.0351 0.0291
Brugia malayi beta-lactamase 0.0043 0.1027 0.1104
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1027 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.1027 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0.1027 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0247 0.8806 0.9758

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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