Detailed information for compound 1388516

Basic information

Technical information
  • TDR Targets ID: 1388516
  • Name: 2-(2-fluorophenoxy)-N-(4-methoxy-3-piperidin- 1-ylsulfonylphenyl)acetamide
  • MW: 422.47 | Formula: C20H23FN2O5S
  • H donors: 1 H acceptors: 3 LogP: 2.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)COc1ccccc1F
  • InChi: 1S/C20H23FN2O5S/c1-27-18-10-9-15(13-19(18)29(25,26)23-11-5-2-6-12-23)22-20(24)14-28-17-8-4-3-7-16(17)21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,24)
  • InChiKey: VNXMNPNLQBTECO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-fluorophenoxy)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide
  • 2-(2-fluorophenoxy)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide
  • 2-(2-fluorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide
  • ZINC05065493

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
Schistosoma mansoni cathepsin F (C01 family) 0.0047 1 1
Onchocerca volvulus 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Echinococcus granulosus cathepsin l1 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0031 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0047 1 1
Echinococcus granulosus cathepsin l1 0.0031 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Brugia malayi Cathepsin L-like precursor 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0047 1 1
Onchocerca volvulus 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Loa Loa (eye worm) ctsf protein 0.0047 1 1
Brugia malayi Cathepsin L-like precursor 0.0031 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Brugia malayi Cathepsin L-like precursor 0.0047 1 1
Loa Loa (eye worm) cysteine protease 0.0047 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Onchocerca volvulus 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Onchocerca volvulus Cathepsin F homolog 0.0047 1 1
Onchocerca volvulus Cathepsin L homolog 0.0047 1 1
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Brugia malayi cathepsin L-like precursor 0.0031 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Leishmania major cysteine peptidase A (CPA) 0.0047 1 0.5
Echinococcus multilocularis cysteine protease 0.0047 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0047 1 1
Brugia malayi Cathepsin L-like precursor 0.0031 0.3182 0.3182
Schistosoma mansoni cathepsin F (C01 family) 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.3182 0.3182
Entamoeba histolytica cysteine protease, putative 0.0047 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0047 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0047 1 1
Brugia malayi Cathepsin L-like precursor 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0047 1 1
Toxoplasma gondii cathepsin CPL 0.0047 1 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.3182 0.3182
Echinococcus multilocularis cysteine protease 0.0047 1 1
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Loa Loa (eye worm) fibroinase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Onchocerca volvulus Cathepsin L homolog 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0047 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0047 1 1
Onchocerca volvulus 0.0047 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0047 1 1
Onchocerca volvulus 0.0047 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0031 0.3182 0.3182
Trypanosoma cruzi cysteine peptidase, putative 0.0047 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0047 1 1
Brugia malayi Cathepsin L-like precursor 0.0047 1 1
Brugia malayi Cathepsin L-like precursor 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0047 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0047 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0047 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.3182 0.3182
Onchocerca volvulus 0.0047 1 1
Plasmodium vivax vivapain-2 0.0047 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0047 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0047 1 1
Onchocerca volvulus 0.0047 1 1
Leishmania major cathepsin L-like protease 0.0047 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 1 1
Plasmodium vivax vivapain-2 0.0047 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 13.1154 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 25.929 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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