Detailed information for compound 1487454

Basic information

Technical information
  • TDR Targets ID: 1487454
  • Name: 2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-mor pholin-4-ylsulfonylphenyl)acetamide
  • MW: 440.509 | Formula: C19H21FN2O5S2
  • H donors: 1 H acceptors: 3 LogP: 2.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CSc1ccc(cc1)F)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C19H21FN2O5S2/c1-26-18-7-6-16(29(24,25)22-8-10-27-11-9-22)12-17(18)21-19(23)13-28-15-4-2-14(20)3-5-15/h2-7,12H,8-11,13H2,1H3,(H,21,23)
  • InChiKey: HSRQWBBXJWXGMA-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide
  • 2-[(4-fluorophenyl)thio]-N-(2-methoxy-5-morpholinosulfonylphenyl)acetamide
  • 2-[(4-fluorophenyl)thio]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide
  • 2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide
  • T5606588

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
Echinococcus multilocularis caspase 2 0.0236 0.6189 0.6189
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0458 0.0458
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0458 0.0458
Entamoeba histolytica hypothetical protein 0.0035 0.0474 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0458 0.0458
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0458 0.0458
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0458 0.0458
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0458 0.0458
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.037 1 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Onchocerca volvulus 0.037 1 1
Brugia malayi intermediate filament protein 0.0026 0.0227 0.0227
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0458 0.0458
Echinococcus granulosus lamin dm0 0.0026 0.0227 0.0227
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0458 0.0458
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0458 0.0458
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0458 0.0458
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0458 0.0458
Brugia malayi hypothetical protein 0.0236 0.6189 0.6189
Brugia malayi ecdysteroid receptor 0.0034 0.0458 0.0458
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0458 0.0458
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0458 0.0458
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0034 0.0458 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0458 0.0458
Schistosoma mansoni lamin 0.0026 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0236 0.6189 0.6189
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.294 0.294
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0227 0.0227
Schistosoma mansoni hypothetical protein 0.0035 0.0474 0.0474
Brugia malayi hypothetical protein 0.0035 0.0474 0.0474
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0458 0.0236
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0458 0.0458
Onchocerca volvulus 0.0034 0.0458 0.0236
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0458 0.0236
Echinococcus multilocularis lamin 0.0026 0.0227 0.0227
Echinococcus granulosus baculoviral IAP repeat containing protein 0.037 1 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.6189 0.6189
Schistosoma mansoni thyroid hormone receptor 0.0156 0.391 0.391
Brugia malayi Cell death protein 3 precursor 0.0236 0.6189 0.6189
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.037 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0227 0.0227
Echinococcus multilocularis lamin dm0 0.0026 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0458 0.0458
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.037 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0458 0.0458
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0458 0.0458
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0458 0.0458
Echinococcus granulosus apoptotic protease activating factor 1 0.0236 0.6189 0.6189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0458 0.0458
Entamoeba histolytica hypothetical protein 0.0035 0.0474 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0458 0.0458
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0458 0.0458
Onchocerca volvulus Cell death protein 3 homolog 0.0236 0.6189 0.61
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0026 0.0214 0.0214
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0458 0.0458
Brugia malayi nuclear hormone receptor 0.0034 0.0458 0.0458
Onchocerca volvulus 0.0236 0.6189 0.61
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0458 0.0458
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0458 0.0458
Echinococcus multilocularis apoptotic protease activating factor 1 0.0236 0.6189 0.6189
Schistosoma mansoni hypothetical protein 0.0236 0.6189 0.6189
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Echinococcus multilocularis musashi 0.0026 0.0227 0.0227
Schistosoma mansoni coup transcription factor 0.0034 0.0458 0.0458
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0458 0.0458
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0458 0.0458
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0458 0.0458
Brugia malayi steroid hormone receptor 0.0034 0.0458 0.0458
Schistosoma mansoni inhibitor of apoptosis protein 0.037 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.294 0.294
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0458 0.0458
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0458 0.0458
Onchocerca volvulus Deterin homolog 0.037 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0458 0.0458
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0474 0.0474
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0458 0.0458
Brugia malayi nuclear receptor NHR-88 0.0034 0.0458 0.0458
Echinococcus granulosus caspase 2 0.0236 0.6189 0.6189
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0458 0.0458
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0458 0.0458
Echinococcus multilocularis thyroid hormone receptor alpha 0.0156 0.391 0.391
Schistosoma mansoni hypothetical protein 0.037 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0458 0.0458
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0458 0.0458
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0458 0.0458
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0458 0.0458
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0474 0.0474
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Entamoeba histolytica hypothetical protein 0.0035 0.0474 0.5
Loa Loa (eye worm) hypothetical protein 0.037 1 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.037 1 1
Echinococcus granulosus inhibitor of apoptosis protein 0.037 1 1
Schistosoma mansoni hypothetical protein 0.0122 0.294 0.294
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0458 0.0458
Entamoeba histolytica hypothetical protein 0.0035 0.0474 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0458 0.0458
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0227 0.0227
Schistosoma mansoni lamin 0.0026 0.0227 0.0227
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0458 0.0458
Echinococcus granulosus lamin 0.0026 0.0227 0.0227
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0227 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0458 0.0458
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0458 0.0458
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0458 0.0458
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0034 0.0458 0.0458
Schistosoma mansoni caspase-7 (C14 family) 0.0236 0.6189 0.6189
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0458 0.0458
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0474 0.0474
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.037 1 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0227 0.0227
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0458 0.0458
Schistosoma mansoni thyroid hormone receptor 0.0156 0.391 0.391
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0458 0.0458

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 23.0999 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) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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