Detailed information for compound 1283447

Basic information

Technical information
  • TDR Targets ID: 1283447
  • Name: (4-methylsulfonylphenyl)-[4-(phenylmethyl)pip erazin-1-yl]methanone
  • MW: 358.455 | Formula: C19H22N2O3S
  • H donors: 0 H acceptors: 3 LogP: 1.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)S(=O)(=O)C)N1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C19H22N2O3S/c1-25(23,24)18-9-7-17(8-10-18)19(22)21-13-11-20(12-14-21)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
  • InChiKey: NPYPJVRBHFEYPY-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (4-methylsulfonylphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanone
  • [4-(benzyl)piperazin-1-yl]-(4-mesylphenyl)methanone
  • T5312608
  • MLS000770269
  • SMR000375675

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Echinococcus multilocularis lamin 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 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
Brugia malayi Intermediate filament tail domain containing protein 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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
Schistosoma mansoni intermediate filament proteins 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
Loa Loa (eye worm) hypothetical protein 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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

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
Loa Loa (eye worm) hypothetical protein 0.0051 0.1175 0.1175
Loa Loa (eye worm) hypothetical protein 0.0033 0.0537 0.0537
Loa Loa (eye worm) carboxylesterase 0.0299 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0537 0.0537
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0051 0.1175 0.0674
Loa Loa (eye worm) hypothetical protein 0.0051 0.1175 0.1175
Echinococcus granulosus BC026374 protein S09 family 0.0051 0.1175 0.0674
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0051 0.1175 0.1175
Brugia malayi hypothetical protein 0.0051 0.1175 0.1175
Onchocerca volvulus 0.0051 0.1175 1
Brugia malayi Carboxylesterase family protein 0.0299 1 1
Echinococcus multilocularis acetylcholinesterase 0.0299 1 1
Brugia malayi intermediate filament protein 0.0033 0.0537 0.0537
Schistosoma mansoni neuroligin 3 (S09 family) 0.0051 0.1175 0.0674
Brugia malayi Carboxylesterase family protein 0.0051 0.1175 0.1175
Trichomonas vaginalis spcc417.12 protein, putative 0.0051 0.1175 0.5
Echinococcus granulosus carboxylesterase 5A 0.0299 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0051 0.1175 0.0674
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0051 0.1175 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0051 0.1175 0.5
Loa Loa (eye worm) carboxylesterase 0.0051 0.1175 0.1175
Schistosoma mansoni acetylcholinesterase 0.0051 0.1175 0.0674
Loa Loa (eye worm) carboxylesterase 0.0051 0.1175 0.1175
Echinococcus granulosus para nitrobenzyl esterase 0.0051 0.1175 0.0674
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0051 0.1175 0.0674
Loa Loa (eye worm) hypothetical protein 0.0051 0.1175 0.1175
Loa Loa (eye worm) hypothetical protein 0.0051 0.1175 0.1175
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0051 0.1175 0.0674
Brugia malayi Carboxylesterase family protein 0.0051 0.1175 0.1175
Echinococcus granulosus acetylcholinesterase 0.0299 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0051 0.1175 0.0674
Echinococcus multilocularis carboxylesterase 5A 0.0299 1 1
Brugia malayi Carboxylesterase family protein 0.0051 0.1175 0.1175
Schistosoma mansoni BC026374 protein (S09 family) 0.0051 0.1175 0.0674
Onchocerca volvulus 0.0051 0.1175 1
Echinococcus multilocularis acetylcholinesterase 0.0299 1 1
Echinococcus multilocularis neuroligin 0.0051 0.1175 0.0674
Echinococcus multilocularis para nitrobenzyl esterase 0.0051 0.1175 0.0674
Onchocerca volvulus 0.0051 0.1175 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Echinococcus granulosus acetylcholinesterase 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0516 0.0516
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1175 0.1175
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0051 0.1175 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0299 1 1
Brugia malayi Carboxylesterase family protein 0.0051 0.1175 0.1175
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0051 0.1175 0.0674
Echinococcus granulosus neuroligin 0.0051 0.1175 0.0674
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0537 0.0537
Onchocerca volvulus 0.0051 0.1175 1
Schistosoma mansoni gliotactin 0.0051 0.1175 0.0674
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0051 0.1175 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0051 0.1175 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.1175 0.1175
Onchocerca volvulus 0.0051 0.1175 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0631 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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