Detailed information for compound 1433804

Basic information

Technical information
  • TDR Targets ID: 1433804
  • Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfon ylethyl]-2,2-di(phenyl)acetamide
  • MW: 481.582 | Formula: C26H28FN3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCN(CC1)c1ccccc1F
  • InChi: 1S/C26H28FN3O3S/c27-23-13-7-8-14-24(23)29-16-18-30(19-17-29)34(32,33)20-15-28-26(31)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,28,31)
  • InChiKey: KOSAZYRBQHPIGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]ethyl]-2,2-di(phenyl)acetamide
  • N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-di(phenyl)ethanamide
  • G678-0200
  • NCGC00133026-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein 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) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0188 0.136 0.0931
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0188 0.136 0.0931
Schistosoma mansoni chromatin regulatory protein sir2 0.0188 0.136 0.0931
Loa Loa (eye worm) transcriptional regulator 0.1274 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0188 0.136 0.136
Toxoplasma gondii histone deacetylase SIR2 0.0188 0.136 0.5
Brugia malayi RNA binding protein 0.0076 0.0473 0.0473
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0188 0.136 0.0931
Schistosoma mansoni chromatin regulatory protein sir2 0.1274 1 1
Brugia malayi NAD-dependent deacetylase SIRT1 0.0188 0.136 0.136
Mycobacterium ulcerans Sir2-like regulatory protein 0.0188 0.136 1
Leishmania major silent information regulator 2, putative 0.1274 1 1
Giardia lamblia Hypothetical protein 0.1274 1 1
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0188 0.136 0.136
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0188 0.136 0.0931
Echinococcus granulosus chromatin regulatory protein sir2 0.1274 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.1274 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.1274 1 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0188 0.136 0.0931
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.1274 1 1
Loa Loa (eye worm) sirtuin 4 0.0188 0.136 0.136
Mycobacterium ulcerans NAD-dependent deacetylase 0.0188 0.136 1
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0188 0.136 0.5
Toxoplasma gondii histone deacetylase SIR2-like 0.0188 0.136 0.5
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.1274 1 1
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0188 0.136 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.0473 0.0473
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.1274 1 1
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0188 0.136 0.5
Plasmodium vivax hypothetical protein, conserved 0.0188 0.136 0.5
Echinococcus multilocularis chromatin regulatory protein sir2 0.1274 1 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0188 0.136 0.136
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0188 0.136 0.136
Schistosoma mansoni chromatin regulatory protein sir2 0.0188 0.136 0.0931
Brugia malayi transcriptional regulator, Sir2 family protein 0.0188 0.136 0.136
Loa Loa (eye worm) hypothetical protein 0.0188 0.136 0.136
Trypanosoma brucei Silent information regulator 2 related protein 1 0.1274 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.1274 1 1
Loa Loa (eye worm) transcriptional regulator 0.0188 0.136 0.136
Plasmodium vivax NAD-dependent deacetylase, putative 0.0188 0.136 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0473 0.0473
Leishmania major sir2-family protein-like protein 0.0188 0.136 0.136
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0188 0.136 0.136
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0473 0.0473
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.1274 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.1274 1 1
Loa Loa (eye worm) transcriptional regulator 0.0188 0.136 0.136
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0473 0.0473
Schistosoma mansoni chromatin regulatory protein sir2 0.0188 0.136 0.0931
Trypanosoma brucei SIR2-like protein 4, putative 0.0188 0.136 0.136
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.1274 1 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0188 0.136 0.0931
Brugia malayi TAR-binding protein 0.0076 0.0473 0.0473
Schistosoma mansoni chromatin regulatory protein sir2 0.1274 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0188 0.136 0.0931

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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