Detailed information for compound 1273158

Basic information

Technical information
  • TDR Targets ID: 1273158
  • Name: 1-[4-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]s ulfonylpiperazin-1-yl]phenyl]ethanone
  • MW: 425.501 | Formula: C22H23N3O4S
  • H donors: 0 H acceptors: 4 LogP: 2.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1occ(n1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C
  • InChi: 1S/C22H23N3O4S/c1-16(26)18-3-7-20(8-4-18)24-11-13-25(14-12-24)30(27,28)21-9-5-19(6-10-21)22-15-29-17(2)23-22/h3-10,15H,11-14H2,1-2H3
  • InChiKey: XEZUSYIRVVEUSA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-[4-[4-(2-methyloxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]phenyl]ethanone
  • 1-[4-[4-[4-(2-methyl-4-oxazolyl)phenyl]sulfonyl-1-piperazinyl]phenyl]ethanone
  • G847-0118
  • NCGC00135174-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 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
Loa Loa (eye worm) hypothetical 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 multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Brugia malayi Intermediate filament tail domain containing 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
Echinococcus multilocularis musashi 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
Echinococcus granulosus lamin 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi 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 japonicum ko:K07611 lamin, putative 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
Echinococcus multilocularis lamin 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 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
Echinococcus granulosus lamin dm0 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni high-affinity choline transporter 0.0117 0.2297 0.1981
Brugia malayi intermediate filament protein 0.0033 0.0394 0.1193
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2916 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0394 0.1352
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0117 0.2297 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0394 0.0381
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0394 0.1352
Onchocerca volvulus 0.0117 0.2297 1
Echinococcus multilocularis lamin 0.0033 0.0394 0.0381
Loa Loa (eye worm) hypothetical protein 0.0117 0.2297 0.7879
Echinococcus granulosus lamin 0.0033 0.0394 0.0381
Brugia malayi GH02984p 0.0117 0.2297 0.784
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0458 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.0394 0.0381
Echinococcus multilocularis high affinity choline transporter 1 0.0117 0.2297 0.2287
Echinococcus granulosus intermediate filament protein 0.0033 0.0394 0.0381
Brugia malayi MH2 domain containing protein 0.0144 0.2916 1
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0117 0.2297 0.2287
Loa Loa (eye worm) hypothetical protein 0.0117 0.2297 0.7879
Schistosoma mansoni inositol transporter 0.0458 1 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.0458 1 1
Schistosoma mansoni inositol transporter 0.0458 1 1
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0458 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0381 0.1306
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0394 0.1193
Echinococcus multilocularis solute carrier family 5 0.0458 1 1
Schistosoma mansoni sodium/solute symporter 0.0117 0.2297 0.1981
Echinococcus multilocularis musashi 0.0033 0.0394 0.0381
Echinococcus granulosus high affinity choline transporter 1 0.0117 0.2297 0.2287
Echinococcus granulosus sodium:myo inositol cotransporter 0.0458 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0394 0.1352
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2916 1
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0117 0.2297 0.2287
Brugia malayi Sodium:solute symporter family protein 0.0117 0.2297 0.784
Loa Loa (eye worm) hypothetical protein 0.0016 0.0013 0.0046
Echinococcus granulosus solute carrier family 5 0.0458 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0053 0.018

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 23.2809 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (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
Homo sapiens 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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