Detailed information for compound 1294834

Basic information

Technical information
  • TDR Targets ID: 1294834
  • Name: [4-(phenylmethyl)piperazin-1-yl]-(1-phenylsul fonylpiperidin-4-yl)methanone
  • MW: 427.56 | Formula: C23H29N3O3S
  • H donors: 0 H acceptors: 3 LogP: 2.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)Cc1ccccc1)C1CCN(CC1)S(=O)(=O)c1ccccc1
  • InChi: 1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-7-3-1-4-8-20)21-11-13-26(14-12-21)30(28,29)22-9-5-2-6-10-22/h1-10,21H,11-19H2
  • InChiKey: NXBGBOCNAAGNMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(phenylmethyl)piperazin-1-yl]-(1-phenylsulfonyl-4-piperidyl)methanone
  • [4-(phenylmethyl)-1-piperazinyl]-(1-phenylsulfonyl-4-piperidinyl)methanone
  • [4-(benzyl)piperazin-1-yl]-(1-phenylsulfonyl-4-piperidyl)methanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.8372 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0609 0.0609
Brugia malayi intermediate filament protein 0.0028 0.593 0.5666
Loa Loa (eye worm) intermediate filament protein 0.0028 0.593 0.593
Loa Loa (eye worm) hypothetical protein 0.0028 0.593 0.593
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.593 0.5666
Echinococcus granulosus lamin dm0 0.0028 0.593 0.593
Onchocerca volvulus 0.0028 0.593 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.8372 0.5
Echinococcus granulosus lamin 0.0028 0.593 0.593
Onchocerca volvulus 0.0028 0.593 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.593 0.593
Echinococcus multilocularis lamin 0.0028 0.593 0.593
Echinococcus granulosus intermediate filament protein 0.0028 0.593 0.593
Echinococcus multilocularis musashi 0.0028 0.593 0.593
Echinococcus multilocularis lamin dm0 0.0028 0.593 0.593
Loa Loa (eye worm) hypothetical protein 0.0028 0.572 0.572

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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

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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