Detailed information for compound 1604469

Basic information

Technical information
  • TDR Targets ID: 1604469
  • Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]- N-methyl-N-(phenylmethyl)acetamide
  • MW: 405.486 | Formula: C20H24FN3O3S
  • H donors: 0 H acceptors: 3 LogP: 2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(Cc1ccccc1)C)CN1CCN(CC1)S(=O)(=O)c1ccccc1F
  • InChi: 1S/C20H24FN3O3S/c1-22(15-17-7-3-2-4-8-17)20(25)16-23-11-13-24(14-12-23)28(26,27)19-10-6-5-9-18(19)21/h2-10H,11-16H2,1H3
  • InChiKey: IOXOQKVFLXJZSM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-N-methyl-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-acetamide
  • 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(phenylmethyl)ethanamide
  • T5327456

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196

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
Trichomonas vaginalis AGC family protein kinase 0.0618 1 1
Trichomonas vaginalis AGC family protein kinase 0.0618 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.2857 0.4392
Echinococcus granulosus nervana 2 0.0395 0.6136 0.8984
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.2857 0.4392
Schistosoma mansoni serine/threonine-protein kinase 0.0417 0.6506 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0601 0.9706 0.9706
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0206 0.2857 0.2857
Trypanosoma cruzi Protein kinase B 0.0417 0.6506 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0206 0.2857 0.2857
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.04 0.6213 0.9195
Brugia malayi Hr1 repeat family protein 0.0206 0.2857 0.2857
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.2857 0.4392
Brugia malayi Protein kinase domain containing protein 0.0206 0.2857 0.2857
Entamoeba histolytica protein kinase 2, putative 0.04 0.6213 0.4697
Giardia lamblia Kinase, AGC PKA 0.04 0.6213 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0417 0.6506 0.5109
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0395 0.6136 0.8984
Entamoeba histolytica protein kinase, putative 0.0618 1 1
Entamoeba histolytica protein kinase, putative 0.0601 0.9706 0.9589
Loa Loa (eye worm) AGC/NDR protein kinase 0.0206 0.2857 0.2857
Echinococcus multilocularis Glutaredoxin protein 5 0.0395 0.6136 0.8984
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0395 0.6136 0.8984
Echinococcus granulosus serine/threonine protein kinase 0.0417 0.6506 1
Toxoplasma gondii AGC kinase 0.0601 0.9706 0.5
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0206 0.2857 0.2857
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.033 0.033
Schistosoma mansoni serine/threonine kinase 0.0206 0.2857 0.4392
Schistosoma mansoni atypical protein kinase C 0.0206 0.2857 0.4392
Trichomonas vaginalis AGC family protein kinase 0.0618 1 1
Brugia malayi protein kinase C II. 0.0206 0.2857 0.2857
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0601 0.9706 0.9706
Loa Loa (eye worm) AGC/AKT protein kinase 0.0618 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.2857 0.4392
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.04 0.6213 0.5
Trichomonas vaginalis AGC family protein kinase 0.0618 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0417 0.6506 1
Trichomonas vaginalis AGC family protein kinase 0.0618 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.2857 0.4392
Echinococcus granulosus serine threonine protein kinase nrc 0.04 0.6213 0.9195
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0417 0.6506 1
Echinococcus granulosus nervana 2 0.0395 0.6136 0.8984
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.2857 0.4392
Entamoeba histolytica PH domain containing protein kinase, putative 0.0417 0.6506 0.5109
Brugia malayi Protein kinase domain containing protein 0.0206 0.2857 0.2857
Trichomonas vaginalis AGC family protein kinase 0.0618 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0395 0.6136 0.8984
Loa Loa (eye worm) hypothetical protein 0.0206 0.2857 0.2857
Trichomonas vaginalis AGC family protein kinase 0.0206 0.2857 0.0107
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.033 0.033
Echinococcus multilocularis rac serine:threonine kinase 0.0417 0.6506 1
Echinococcus multilocularis nervana 2 0.0395 0.6136 0.8984
Trichomonas vaginalis AGC family protein kinase 0.0223 0.3151 0.0514
Trichomonas vaginalis AGC family protein kinase 0.0206 0.2857 0.0107
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.033 0.033
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.2857 0.4392
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.04 0.6213 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.0618 1 0.5
Echinococcus multilocularis nervana 2 0.0395 0.6136 0.8984
Trichomonas vaginalis AGC family protein kinase 0.0618 1 1
Entamoeba histolytica protein kinase, putative 0.0618 1 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0206 0.2857 0.2857
Loa Loa (eye worm) AGC/PKN protein kinase 0.0206 0.2857 0.2857
Loa Loa (eye worm) hypothetical protein 0.006 0.033 0.033
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.04 0.6213 0.9195
Trichomonas vaginalis AGC family protein kinase 0.0206 0.2857 0.0107

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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