Detailed information for compound 1351821

Basic information

Technical information
  • TDR Targets ID: 1351821
  • Name: N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin- 2-yl)acetamide
  • MW: 319.207 | Formula: C12H12Cl2N2O2S
  • H donors: 2 H acceptors: 2 LogP: 2.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1SCCNC1=O)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C12H12Cl2N2O2S/c13-8-2-1-7(5-9(8)14)16-11(17)6-10-12(18)15-3-4-19-10/h1-2,5,10H,3-4,6H2,(H,15,18)(H,16,17)
  • InChiKey: GPLYEGKLYDKKAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3,4-Dichlorophenyl)-2-(3-oxo-2-thiomorpholinyl)acetamide
  • N-(3,4-dichlorophenyl)-2-(3-ketothiomorpholin-2-yl)acetamide
  • N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)ethanamide
  • MLS000765755
  • STK327177
  • SMR000278861
  • Acetamide, 2-(perhydro-3-oxo-1,4-thiazin-2-yl)-N-(3,4-dichlorophenyl)-
  • Oprea1_382086
  • BAS 12534393
  • N-(3,4-Dichloro-phenyl)-2-(3-oxo-thiomorpholin-2-yl)-acetamide
  • TimTec1_004558

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intermediate filament proteins 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
Echinococcus granulosus cytoplasmic intermediate filament 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) intermediate filament protein 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
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
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
Brugia malayi Intermediate filament tail domain containing protein 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
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
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
Loa Loa (eye worm) 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 1 1
Brugia malayi intermediate filament protein 0.0033 0.6517 0.6517
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Echinococcus multilocularis musashi 0.0033 0.6517 0.6517
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Schistosoma mansoni lamin 0.0033 0.6517 0.6517
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1678 0.1678
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.6517 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1124 0.1124
Echinococcus granulosus lamin dm0 0.0033 0.6517 0.6517
Loa Loa (eye worm) hypothetical protein 0.0032 0.6327 0.9707
Loa Loa (eye worm) hypothetical protein 0.0015 0.0933 0.1432
Onchocerca volvulus 0.0033 0.6517 1
Echinococcus multilocularis lamin 0.0033 0.6517 0.6517
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1124 0.1124
Loa Loa (eye worm) hypothetical protein 0.0016 0.1124 0.1725
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1678 0.2574
Schistosoma mansoni lamin 0.0033 0.6517 0.6517
Echinococcus granulosus intermediate filament protein 0.0033 0.6517 0.6517
Loa Loa (eye worm) intermediate filament protein 0.0033 0.6517 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.6517 0.6517
Schistosoma mansoni hypothetical protein 0.0043 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0933 0.1432
Schistosoma mansoni intermediate filament proteins 0.0033 0.6517 0.6517
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Onchocerca volvulus 0.0033 0.6517 1
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.6517 1
Echinococcus multilocularis lamin dm0 0.0033 0.6517 0.6517
Echinococcus granulosus lamin 0.0033 0.6517 0.6517

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 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
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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