Detailed information for compound 1329695

Basic information

Technical information
  • TDR Targets ID: 1329695
  • Name: N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]- 2-phenylacetamide
  • MW: 376.445 | Formula: C19H21FN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccccc1)NC1CCN(CC1)S(=O)(=O)c1cccc(c1)F
  • InChi: 1S/C19H21FN2O3S/c20-16-7-4-8-18(14-16)26(24,25)22-11-9-17(10-12-22)21-19(23)13-15-5-2-1-3-6-15/h1-8,14,17H,9-13H2,(H,21,23)
  • InChiKey: OEISNFGIZAKQLX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(3-fluorophenyl)sulfonyl-4-piperidyl]-2-phenyl-acetamide
  • N-[1-(3-fluorophenyl)sulfonyl-4-piperidinyl]-2-phenylacetamide
  • N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenyl-ethanamide
  • ZINC04888764
  • MLS000030321
  • N-[1-(3-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2-phenyl-acetamide
  • SMR000006293
  • ASN 06237997

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Probable two-component sensor kinase 0.0069 0.0826 0.1024
Brugia malayi jmjC domain containing protein 0.0161 0.3761 0.3761
Trypanosoma cruzi Heat shock protein 83, putative 0.0355 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0069 0.0826 0.5
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0201 0.5063 0.5063
Trypanosoma cruzi heat shock protein 85, putative 0.0355 1 1
Trypanosoma cruzi heat shock protein, putative 0.0216 0.5526 0.5526
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0049 0.0175 0.0175
Trichomonas vaginalis receptor histidine kinase, putative 0.0069 0.0826 0.0826
Trypanosoma brucei heat shock protein 90, putative 0.0355 1 1
Trichomonas vaginalis heat shock protein, putative 0.0295 0.8066 0.8066
Schistosoma mansoni pyruvate dehydrogenase 0.0132 0.2844 0.2844
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0216 0.5526 0.8476
Trichomonas vaginalis set domain proteins, putative 0.0247 0.652 0.652
Leishmania major hypothetical protein, conserved 0.0069 0.0826 0.0826
Entamoeba histolytica heat shock protein 90, putative 0.0355 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0617 0.0617
Loa Loa (eye worm) jmjC domain-containing protein 0.0098 0.175 0.175
Loa Loa (eye worm) heat shock protein 75 0.0216 0.5526 0.5526
Toxoplasma gondii Hsp90 domain-containing protein 0.0164 0.3855 0.3855
Echinococcus multilocularis endoplasmin 0.0295 0.8066 0.8066
Trypanosoma cruzi DNA topoisomerase II, putative 0.0069 0.0826 0.0826
Chlamydia trachomatis DNA gyrase subunit B 0.0069 0.0826 0.5
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.0826 0.1266
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0049 0.0175 0.0175
Echinococcus multilocularis heat shock protein 0.0355 1 1
Toxoplasma gondii heat shock protein 90, putative 0.0355 1 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.0826 0.1266
Trypanosoma brucei developmentally regulated phosphoprotein 0.0201 0.5063 0.5063
Leishmania major heat shock protein 83-1 0.0355 1 1
Loa Loa (eye worm) TOPoisomerase family member 0.0069 0.0826 0.0826
Brugia malayi Pre-SET motif family protein 0.0217 0.556 0.556
Schistosoma mansoni DNA topoisomerase II 0.0069 0.0826 0.0826
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0069 0.0826 0.0826
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0069 0.0826 0.0826
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0069 0.0826 0.0826
Trichomonas vaginalis sensor histidine kinase, putative 0.0069 0.0826 0.0826
Trichomonas vaginalis DNA topoisomerase II, putative 0.0069 0.0826 0.0826
Mycobacterium tuberculosis Conserved protein 0.0069 0.0826 0.1024
Toxoplasma gondii heat shock protein HSP90 0.0355 1 1
Leishmania major heat shock protein 83-1 0.0355 1 1
Plasmodium falciparum endoplasmin, putative 0.0224 0.5789 0.541
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.556 0.556
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0069 0.0826 0.1024
Loa Loa (eye worm) hypothetical protein 0.0069 0.0826 0.0826
Leishmania major heat shock protein 83-1 0.0355 1 1
Schistosoma mansoni endoplasmin 0.0355 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0295 0.8066 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0118 0.2394 0.2394
Trichomonas vaginalis heat shock protein, putative 0.0286 0.7781 0.7781
Loa Loa (eye worm) hypothetical protein 0.0069 0.0826 0.0826
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0069 0.0826 0.0826
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0069 0.0826 0.1024
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0069 0.0826 0.0826
Loa Loa (eye worm) hypothetical protein 0.0068 0.08 0.08
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0069 0.0826 0.1024
Leishmania major heat shock protein 83-1 0.0355 1 1
Mycobacterium ulcerans putative regultory protein 0.0069 0.0826 0.1024
Schistosoma mansoni pyruvate dehydrogenase 0.0132 0.2844 0.2844
Trypanosoma brucei DNA topoisomerase ii 0.0069 0.0826 0.0826
Brugia malayi kinase, mitochondrial precursor 0.0201 0.5063 0.5063
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0295 0.8066 0.8066
Giardia lamblia Heat shock protein HSP 90-alpha 0.0355 1 1
Loa Loa (eye worm) hypothetical protein 0.0201 0.5063 0.5063
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Leishmania major heat shock protein 83-1 0.0355 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0069 0.0826 0.0826
Mycobacterium tuberculosis Possible two component sensor kinase 0.0069 0.0826 0.1024
Trypanosoma cruzi heat shock protein 90, putative 0.0286 0.7781 0.7781
Trichomonas vaginalis heat shock protein, putative 0.0355 1 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0069 0.0826 0.0826
Trypanosoma cruzi heat shock protein 90, putative 0.0201 0.5037 0.5037
Schistosoma mansoni endoplasmin 0.0355 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0355 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0069 0.0826 0.1024
Mycobacterium ulcerans DNA gyrase subunit B 0.0069 0.0826 0.1024
Treponema pallidum heat shock protein 90 0.0295 0.8066 1
Plasmodium vivax DNA topoisomerase II, putative 0.0069 0.0826 0.0826
Mycobacterium leprae Probable two component sensor kinase MprB 0.0069 0.0826 0.1024
Leishmania major DNA topoisomerase ii 0.0069 0.0826 0.0826
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0286 0.7781 0.7781
Trypanosoma brucei heat shock protein 90, putative 0.0355 1 1
Toxoplasma gondii heat shock protein 75, putative 0.0216 0.5526 0.5526
Plasmodium vivax DNA gyrase subunit B, putative 0.0069 0.0826 0.0826
Schistosoma mansoni heat shock protein 0.0355 1 1
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0049 0.0175 0.0175
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Plasmodium vivax heat shock protein, putative 0.0164 0.3855 0.3855
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0161 0.3761 0.3761
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0069 0.0826 0.0826
Leishmania major mitochondrial DNA topoisomerase II 0.0069 0.0826 0.0826
Plasmodium vivax heat shock protein 90, putative 0.0216 0.5526 0.5526
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0201 0.5063 0.5063
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0069 0.0826 0.0826
Giardia lamblia Heat shock protein HSP 90-alpha 0.0286 0.7781 0.7581
Leishmania major heat shock protein 83-1 0.0355 1 1
Schistosoma mansoni heat shock protein 0.0355 1 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0216 0.5526 0.5526
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0069 0.0826 0.1024
Leishmania major heat shock protein 83-1 0.0355 1 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0069 0.0826 0.1266
Brugia malayi jmjC domain containing protein 0.0098 0.175 0.175
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0069 0.0826 0.5
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0069 0.0826 0.1024
Leishmania major heat shock protein 83-1 0.0355 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0355 1 1
Mycobacterium ulcerans heat shock protein 90 0.0295 0.8066 1
Trichomonas vaginalis heat shock protein, putative 0.0295 0.8066 0.8066
Entamoeba histolytica heat shock protein 90, putative 0.0355 1 1
Leishmania major heat shock protein 83-1 0.0355 1 1
Mycobacterium ulcerans two component sensor kinase MprB 0.0069 0.0826 0.1024
Mycobacterium ulcerans two component regulator - sensor kinase 0.0069 0.0826 0.1024
Leishmania major heat shock protein 83-1 0.0355 1 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0069 0.0826 0.0826
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0295 0.8066 1
Plasmodium vivax heat shock protein 86, putative 0.0355 1 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0069 0.0826 0.1024
Plasmodium falciparum heat shock protein 90 0.0355 1 1
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Leishmania major heat shock protein 83-1 0.0355 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0207 0.5241 0.4812
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0069 0.0826 0.0826
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0069 0.0826 0.0826
Plasmodium vivax hypothetical protein, conserved 0.0069 0.0826 0.0826
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0295 0.8066 1
Schistosoma mansoni pyruvate dehydrogenase 0.0201 0.5063 0.5063
Echinococcus multilocularis heat shock protein 90 0.0355 1 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0069 0.0826 0.1024
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0069 0.0826 0.0826
Giardia lamblia Grp94/Hsp90 0.0295 0.8066 0.7892
Plasmodium falciparum heat shock protein 90, putative 0.0164 0.3855 0.3302
Echinococcus granulosus endoplasmin 0.0295 0.8066 0.8066
Echinococcus granulosus heat shock protein 90 0.0286 0.7781 0.7781
Onchocerca volvulus 0.0247 0.652 1
Trypanosoma brucei Heat shock protein 83, putative 0.0355 1 1
Leishmania major heat shock protein 83-1 0.0355 1 1
Loa Loa (eye worm) heat shock protein 90 0.0355 1 1
Echinococcus multilocularis heat shock protein 90 0.0286 0.7781 0.7781
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0049 0.0175 0.0175
Trichomonas vaginalis heat shock protein, putative 0.0155 0.357 0.357
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Leishmania major heat shock protein 83-1 0.0355 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.175 0.175
Plasmodium vivax endoplasmin, putative 0.0355 1 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0069 0.0826 0.1024
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0069 0.0826 0.0826
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0069 0.0826 0.1024
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0069 0.0826 0.1024
Echinococcus granulosus heat shock protein 0.0355 1 1
Brugia malayi heat shock protein 90 0.0355 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0098 0.175 0.175
Leishmania major heat shock protein, putative 0.0216 0.5526 0.5526
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0161 0.3761 0.3761
Brugia malayi Hsp90 protein 0.0216 0.5526 0.5526
Trypanosoma brucei heat shock protein 84, putative 0.0216 0.5526 0.5526
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0069 0.0826 0.1024
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0069 0.0826 0.1024
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0069 0.0826 0.1024
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0069 0.0826 0.1024
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0069 0.0826 0.1024
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.175 0.175
Echinococcus granulosus lysine specific demethylase 5A 0.0098 0.175 0.175
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0069 0.0826 0.0826
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0069 0.0826 0.0826
Trichomonas vaginalis endoplasmin, putative 0.0224 0.5789 0.5789
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0201 0.5063 0.5063
Leishmania major heat shock protein 83-1 0.0355 1 1
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0069 0.0826 0.1024
Leishmania major heat shock protein 83-1 0.0355 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0069 0.0826 0.0826
Loa Loa (eye worm) endoplasmin 0.0355 1 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0164 0.3855 0.3302
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0069 0.0826 0.0826
Schistosoma mansoni heat shock protein 0.0216 0.5526 0.5526
Trypanosoma cruzi heat shock protein 85, putative 0.0355 1 1
Echinococcus granulosus heat shock protein 90 0.0355 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7511 0.9312
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0069 0.0826 0.0826
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0201 0.5063 0.5063
Leishmania major heat shock protein 83-1 0.0355 1 1
Leishmania major heat shock protein 83-1 0.0355 1 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.0201 0.5063 0.5063
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0069 0.0826 0.1024
Trichomonas vaginalis heat shock protein, putative 0.0224 0.5789 0.5789
Mycobacterium tuberculosis Probable two component sensor kinase 0.0069 0.0826 0.1024
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0069 0.0826 0.0826
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0069 0.0826 0.1024
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0216 0.5526 0.5526
Brugia malayi Probable DNA topoisomerase II 0.0069 0.0826 0.0826
Trypanosoma cruzi heat shock protein 85, putative 0.0286 0.7781 0.7781
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0069 0.0826 0.1024
Trypanosoma brucei heat shock protein, putative 0.0355 1 1
Schistosoma mansoni jumonji domain containing protein 0.014 0.3106 0.3106
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0069 0.0826 0.1024

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (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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